SCHEMBL2249184

SCHEMBL2249184

CCC(=O)c1ccc(F)c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.53
ITGA5 P08648 1/20 0.53
ALDH1A1 P00352 3/20 0.50
HIF1A Q16665 1/20 0.50
LMNA P02545 4/20 0.48
KMT2A Q03164 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MAPK1 P28482 2/20 0.48
HTT P42858 2/20 0.48
VCAM1 P19320 1/20 0.47
MAPT P10636 4/20 0.47
MEN1 O00255 2/20 0.47
POLB P06746 1/20 0.47
CLPP Q16740 2/20 0.46
HCAR3 P49019 2/20 0.46
PDK1 Q15118 1/20 0.46
TTR P02766 1/20 0.46
AKR1C2 P52895 1/20 0.45
AKR1C1 Q04828 1/20 0.45
TSHR P16473 2/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28372237 0.88 VCAM1 (0.49) ITGB1ITGA5ALDH1A1HIF1AKMT2A
SCHEMBL29221076 0.87 ATM (0.51) ITGB1ITGA5ALDH1A1LMNAKMT2A
SCHEMBL12061581 0.85 ALDH1A1 (0.51) ITGB1ITGA5ALDH1A1HIF1ALMNA
SCHEMBL8191291 0.85 ALDH1A1 (0.51) ITGB1ITGA5ALDH1A1HIF1ALMNA
SCHEMBL16132076 0.84 GSK3B (0.56) ITGB1ITGA5ALDH1A1HIF1ALMNA
SCHEMBL177107 0.84 ALDH1A1 (0.50) ITGB1ITGA5ALDH1A1HIF1ALMNA
SCHEMBL28371978 0.83 SMN1; SMN2 (0.51) ITGB1ITGA5ALDH1A1HIF1ALMNA
SCHEMBL21775014 0.82 ALDH1A1 (0.51) ALDH1A1LMNAKMT2ASMN1; SMN2MAPK1
SCHEMBL7047805 0.82 TSHR (0.68) ALDH1A1LMNAKMT2ASMN1; SMN2MAPK1
SCHEMBL9157 0.81 ITGB1 (0.57) ITGB1ITGA5ALDH1A1HIF1ALMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12091407-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof VTV THERAPEUTICS LLC (US) 2024-09-17 US disclosed
US-20230312548-A1 SUBSTITUTE FUSED IMIDAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF VTV THERAPEUTICS LLC 2023-10-05 US disclosed
US-11649230-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof VTV THERAPEUTICS LLC (US) 2023-05-16 US disclosed
CN-110803992-B Preparation method of 3-nitro-4-fluoroacetophenone acetate 暨明医药科技(苏州)有限公司 2022-06-24 CN disclosed
US-20220169641-A1 Substituted Fused Imidazole Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof VTVX HOLDINGS II LLC 2022-06-02 US disclosed
US-11130753-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof VTV THERAPEUTICS LLC (US) 2021-09-28 US disclosed
US-10889580-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof VTV THERAPEUTICS LLC (US) 2021-01-12 US disclosed
US-20210002268-A1 Substituted Fused Imidazole Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof TRANSTECH PHARMA, INC. 2021-01-07 US disclosed
US-20200148673-A1 Substituted Fused Imidazole Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof VTVX HOLDINGS II LLC 2020-05-14 US disclosed
US-10570126-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof VTV THERAPEUTICS LLC (US) 2020-02-25 US disclosed
US-20130225596-A1 NOVEL HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME (AS AMENDED) SHIONOGI & CO., LTD. (JP) 2013-08-29 US disclosed
EP-2536285-A1 SUBSTITUTED FUSED IMIDAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF High Point Pharmaceuticals, LLC (US) 2012-12-26 EP disclosed
CN-102712577-A Substituted 3-phenylpropionic acids and the use thereof BAYER SCHERING PHARMA AG 2012-10-03 CN disclosed
CN-102361859-A Heteroaryl compounds useful as Raf kinase inhibitors BIOGEN IDEC INC 2012-02-22 CN disclosed
CN-102171191-A Indazole derivative ASAHI KASEI PHARMA CORP 2011-08-31 CN disclosed
CN-102171192-A Indazole compounds ASAHI KASEI PHARMA CORP 2011-08-31 CN disclosed
WO-2011103018-A1 SUBSTITUTED FUSED IMIDAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF HIGH POINT PHARMACEUTICALS, LLC (US) 2011-08-25 WO disclosed
US-20110201604-A1 Substituted Fused Imidazole Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof HIGH POINT PHARMACEUTICALS, LLC (US) 2011-08-18 US disclosed
US-20110190400-A1 Novel Compounds for Treatment of Malignant Tumors THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2011-08-04 US disclosed
CN-1265651-A Novel tricyclic compound having saturated ring and pharmaceutical composition thereof ASAHI CHEMICAL IND (JP) 2000-09-06 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-12091407-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof GLS, HMOX2, REN ITGB1 4747/4885ITGA5 4386/4885ALDH1A1 1872/4885
US-20220169641-A1 Substituted Fused Imidazole Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof GLS, HMOX2, REN ITGB1 4747/4885ITGA5 4386/4885ALDH1A1 1872/4885
US-11130753-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof GLS, HMOX2, REN ITGB1 4747/4885ITGA5 4386/4885ALDH1A1 1872/4885
US-20110201604-A1 Substituted Fused Imidazole Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof HMOX2, HMOX1, PTGS2 ITGB1 4056/4885ITGA5 3935/4885ALDH1A1 1757/4885
US-20230312548-A1 SUBSTITUTE FUSED IMIDAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF GLS, HMOX2, REN ITGB1 4811/4885ITGA5 4461/4885ALDH1A1 1697/4885
US-20130225596-A1 NOVEL HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME (AS AMENDED) P2RX3, P2RX6, P2RX2 ITGB1 2493/4885ITGA5 2304/4885ALDH1A1 2598/4885
US-11649230-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof GLS, HMOX2, REN ITGB1 4747/4885ITGA5 4386/4885ALDH1A1 1872/4885
US-20200148673-A1 Substituted Fused Imidazole Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof GOT2, GLS2, PYGL ITGB1 4184/4885ITGA5 4125/4885ALDH1A1 491/4885
US-10889580-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof GOT2, GLS2, PYGL ITGB1 4184/4885ITGA5 4125/4885ALDH1A1 491/4885
US-20110190400-A1 Novel Compounds for Treatment of Malignant Tumors TP53, CHEK1, CHEK2 ITGB1 2630/4885ITGA5 2771/4885ALDH1A1 1483/4885
US-10570126-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof HMOX2, HMOX1, UACA ITGB1 4773/4885ITGA5 4628/4885ALDH1A1 1046/4885
US-20210002268-A1 Substituted Fused Imidazole Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof GLS, HMOX2, REN ITGB1 4747/4885ITGA5 4386/4885ALDH1A1 1872/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.