SCHEMBL973813

SCHEMBL973813

CNc1ccc(C(C)=O)cc1[N+](=O)[O-]

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 9/20 0.77
HTT P42858 1/20 0.68
CDC25B P30305 1/20 0.63
PRKCI P41743 1/20 0.56
MAPT P10636 2/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPK1 P28482 1/20 0.54
RECQL P46063 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
AKR1C3 P42330 2/20 0.53
AKR1C2 P52895 2/20 0.53
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.50

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
SCHEMBL321911 0.87 HCAR3 (1.00) HCAR3CDC25BKMT2AMEN1
SCHEMBL27111058 0.87 HCAR3 (0.58) HCAR3HTTCDC25BPRKCIMAPT
SCHEMBL8612192 0.85 MAPT (0.57) HCAR3HTTMAPTALDH1A1MAPK1
SCHEMBL2643864 0.85 KMT2A (0.68) HCAR3HTTMAPTALDH1A1TDP1
Hydrochloric Acid SCHEMBL321637 0.85 HCAR3 (0.97) HCAR3CDC25BKMT2AMEN1
SCHEMBL506550 0.85 HCAR3 (0.74) HCAR3HTTCDC25BMAPTALDH1A1
SCHEMBL10665446 0.85 HCAR3 (0.74) HCAR3HTTCDC25BMAPTALDH1A1
SCHEMBL2253159 0.85 HCAR3 (0.74) HCAR3HTTCDC25BMAPTALDH1A1
SCHEMBL29793669 0.85 KMT2A (0.68) HCAR3HTTMAPTALDH1A1TDP1
Hydrochloric Acid SCHEMBL18813442 0.84 HCAR3 (0.72) HCAR3HTTCDC25BMAPTALDH1A1

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 49 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
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-20190194181-A1 Substituted Fused Imidazole Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof TRANSTECH PHARMA, INC. 2019-06-27 US disclosed
US-20090170859-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-02 US disclosed
EP-1718608-A1 VIRAL POLYMERASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2006-11-08 EP disclosed
US-20050222236-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-06 US disclosed
WO-2005080388-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-01 WO disclosed
EP-0260744-B1 (1H-IMIDAZOL-1-YLMETHYL) SUBSTITUTED BENZIMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-16 EP disclosed
US-4859684-A (1H-imidazol-1-ylmethyl) substituted benzimidazole derivatives and use thereof in treating androgen dependent disorders JANSSEN PHARMACEUTICA N.V. (BE) 1989-08-22 US disclosed
EP-0260744-A2 (1H-imidazol-1-ylmethyl) substituted benzimidazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1988-03-23 EP disclosed
US-4344957-A Benz-acyl-benzimidazole derivatives and antiallergic compositions CIBA-GEIGY CORPORATION (US) 1982-08-17 US disclosed
US-4213993-A ANTIALLERGENS CIBA-GEIGY CORPORATION (US) 1980-07-22 US disclosed
US-4141982-A ANTIALLERGENS CIBA-GEIGY CORPORATION (US) 1979-02-27 US 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 HCAR3 1803/4885HTT 1101/4885CDC25B 4293/4885
US-20220169641-A1 Substituted Fused Imidazole Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof GLS, HMOX2, REN HCAR3 1803/4885HTT 1101/4885CDC25B 4293/4885
US-11130753-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof GLS, HMOX2, REN HCAR3 1803/4885HTT 1101/4885CDC25B 4293/4885
US-20230312548-A1 SUBSTITUTE FUSED IMIDAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF GLS, HMOX2, REN HCAR3 1984/4885HTT 986/4885CDC25B 4264/4885
US-11649230-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof GLS, HMOX2, REN HCAR3 1803/4885HTT 1101/4885CDC25B 4293/4885
US-20200148673-A1 Substituted Fused Imidazole Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof GOT2, GLS2, PYGL HCAR3 1122/4885HTT 3101/4885CDC25B 4421/4885
US-20190194181-A1 Substituted Fused Imidazole Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof HMOX2, HMOX1, UACA HCAR3 1540/4885HTT 703/4885CDC25B 4377/4885
US-10889580-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof GOT2, GLS2, PYGL HCAR3 1122/4885HTT 3101/4885CDC25B 4421/4885
US-20090170859-A1 Viral Polymerase Inhibitors POLR2A, POLR1E, RPP30 HCAR3 4801/4885HTT 1501/4885CDC25B 2566/4885
US-20050222236-A1 Viral polymerase inhibitors POLR2A, POLR1E, RPP30 HCAR3 4801/4885HTT 1501/4885CDC25B 2566/4885
US-10570126-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof HMOX2, HMOX1, UACA HCAR3 1540/4885HTT 703/4885CDC25B 4377/4885
US-20210002268-A1 Substituted Fused Imidazole Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof GLS, HMOX2, REN HCAR3 1803/4885HTT 1101/4885CDC25B 4293/4885

“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.