SCHEMBL7258796

SCHEMBL7258796

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

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.62
CYP3A4 P08684 1/20 0.62
HCAR3 P49019 1/20 0.60
KAT2B Q92831 2/20 0.58
HTT P42858 1/20 0.57
ALDH1A1 P00352 4/20 0.56
MAPT P10636 1/20 0.56
MAPK1 P28482 1/20 0.56
RECQL P46063 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
KCNMA1 Q12791 3/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CDC25B P30305 1/20 0.50
GAA P10253 1/20 0.48

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
Phosphonic Acid SCHEMBL27288892 0.92 HCAR3 (0.56) TSHRCYP3A4HCAR3KAT2BHTT
SCHEMBL978709 0.85 TSHR (0.62) TSHRCYP3A4HCAR3KAT2BALDH1A1
SCHEMBL27872705 0.83 TSHR (0.60) TSHRCYP3A4KAT2BALDH1A1MAPT
SCHEMBL2371809 0.83 TSHR (0.60) TSHRCYP3A4KAT2BALDH1A1KCNMA1
SCHEMBL17546158 0.83 KAT2B (0.60) TSHRCYP3A4KAT2BALDH1A1MAPT
SCHEMBL7086572 0.83 TSHR (0.60) TSHRCYP3A4KAT2BALDH1A1MAPT
SCHEMBL28284771 0.83 TSHR (0.60) TSHRCYP3A4KAT2BALDH1A1MAPT
Hydrochloric Acid SCHEMBL3009620 0.81 KAT2B (0.61) TSHRCYP3A4KAT2BALDH1A1MAPT
SCHEMBL10534498 0.81 HTT (0.71) HCAR3HTTALDH1A1MAPTMAPK1
SCHEMBL365880 0.81 MAPT (0.60) TSHRHCAR3HTTALDH1A1MAPT

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
WO-2023016518-A1 HETEROCYCLIC DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF 四川海思科制药有限公司 2023-02-16 WO disclosed
WO-2020257385-A1 SMALL MOLECULE INHIBITORS OF SRC TYROSINE KINASE DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-12-24 WO disclosed
US-9974307-B2 Composition and method for controlling pests SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-05-22 US disclosed
US-9883675-B2 Method for controlling pests SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-02-06 US disclosed
US-9867803-B2 IRE-1α inhibitors SHANGHAI FOSUN PHARMACEUTICAL INDUSTRIAL DEVELOPMENT CO. LTD. (CN) 2018-01-16 US disclosed
US-9854805-B2 Composition and method for controlling pests SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-01-02 US disclosed
EP-2400961-B1 MEDICINE COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS BOEHRINGER INGELHEIM INT (DE) 2017-11-22 EP disclosed
US-20170326104-A1 IRE-1ALPHA INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2017-11-16 US disclosed
US-9723835-B2 Pest control composition and method for controlling pest SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-08 US disclosed
US-9693992-B2 IRE-1α inhibitors MANNKIND CORPORATION (US) 2017-07-04 US disclosed
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-19 US disclosed
WO-2010032461-A1 NITROGEN-CONTAINING FUSED RING COMPOUND 武田薬品工業株式会社 (JP) 2010-03-25 WO disclosed
EP-1325910-B1 ALIPHATIC NITROGENOUS FIVE-MEMBERED RING COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2008-09-17 EP disclosed
US-7160877-B2 Aliphatic nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2007-01-09 US disclosed
WO-2002036580-A9 BENZOXAZOLE LPAAT- BETA INHIBITORS AND USES THEREOF BONHAM LYNN (US) 2003-02-13 WO disclosed
US-20020107269-A1 Benzoxazole LPAAT-B inhibitors and uses thereof CELL THERAPEUTICS, INC. 2002-08-08 US disclosed
WO-2002036580-A2 BENZOXAZOLE LPAAT- BETA INHIBITORS AND USES THEREOF BONHAM LYNN (US) 2002-05-10 WO disclosed
US-4009994-A Process and product of optical brightening with quaternized benzofuranyl-benzimidazoles CIBA-GEIGY CORPORATION (US) 1977-03-01 US disclosed
US-3940417-A Quaternised benzofuranyl-benzimidazoles CIBA-GEIGY CORPORATION (US) 1976-02-24 US disclosed
US-3931215-A OPTICAL BRIGHTENERS HOECHST AKTIENGESELLSCHAFT (DT) 1976-01-06 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 (3 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-20020107269-A1 Benzoxazole LPAAT-B inhibitors and uses thereof LPCAT3, LPCAT1, PLAAT2 TSHR 3606/4885CYP3A4 2837/4885HCAR3 578/4885
US-20170326104-A1 IRE-1ALPHA INHIBITORS ERN1, XBP1, ERN2 TSHR 3388/4885CYP3A4 3402/4885HCAR3 2881/4885
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 TSHR 396/4885CYP3A4 285/4885HCAR3 107/4885

“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.