SCHEMBL6986698

SCHEMBL6986698

CCOc1c(C)cc([N+](=O)[O-])cc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
TDP1 Q9NUW8 3/20 0.47
TSHR P16473 2/20 0.47
GPR35 Q9HC97 1/20 0.46
MAPT P10636 5/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
CYP3A4 P08684 1/20 0.44
NPC1 O15118 1/20 0.44
PTGS2 P35354 1/20 0.44
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PDE7A Q13946 1/20 0.40
LMNA P02545 2/20 0.40
CYP19A1 P11511 1/20 0.40
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39

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
SCHEMBL11512531 0.90 ALDH1A1 (0.53) ALDH1A1TDP1TSHRGPR35MAPT
SCHEMBL29057016 0.84 AKR1B1 (0.50) ALDH1A1TDP1GPR35MAPTKMT2A
SCHEMBL9944129 0.84 ALDH1A1 (0.43) ALDH1A1TDP1TSHRGPR35MAPT
SCHEMBL2059346 0.82 MAPT (0.49) ALDH1A1GPR35MAPTKMT2ACYP3A4
SCHEMBL5233148 0.81 MAPT (0.49) ALDH1A1TSHRMAPTKMT2AMEN1
SCHEMBL304765 0.81 TDP1 (0.49) ALDH1A1TDP1TSHRGPR35MAPT
SCHEMBL10872347 0.80 ALDH1A1 (0.44) ALDH1A1TDP1TSHRGPR35MAPT
SCHEMBL7866986 0.80 ALDH1A1 (0.46) ALDH1A1TDP1TSHRGPR35MAPT
SCHEMBL3796689 0.79 ALDH1A1 (0.53) ALDH1A1TDP1TSHRGPR35MAPT
SCHEMBL27641657 0.79 HTT (0.52) ALDH1A1TDP1TSHRGPR35MAPT

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59070649-A None JP disclosed
US-7863306-B2 Broadspectrum 2-amino-benzoxazole sulfonamide HIV protease inhibitors TIBOTEC PHARMACEUTICALS LTD (IE) 2011-01-04 US disclosed
US-20100029632-A1 BROADSPECTRUM 2-AMINO-BENZOXAZOLE SULFONAMIDE HIV PROTEASE INHIBITORS SURLERAUX DOMINIQUE LOUIS NEST 2010-02-04 US disclosed
US-7622490-B2 especially for multi-drug resistant strains TIBOTEC PHARMACEUTICALS, LTD. (IE) 2009-11-24 US disclosed
EP-0995743-B1 Derivatives of dihydro- and tetrahydrochinoline as a medicinal antioxydans SERVIER LAB (FR) 2003-04-02 EP disclosed
US-6350759-B1 ANTIOXIDATIVE AGENTS FOR OXIDATION STRESS, ESPECIALLY AT THE CEREBRAL LEVEL; ADIR ET COMPAGNIE (FR) 2002-02-26 US disclosed
EP-0995743-A1 Derivatives of dihydro- and tetrahydrochinoline as a medicinal antioxydans ADIR ET COMPAGNIE (FR) 2000-04-26 EP disclosed
US-5516788-A TREATMENT OF ATHEROSCLEROSIS; ANTIISCHEMIC, ANTICARCINOGENIC AGENTS; ANTICOAGULANTS UNIVERSITY OF BATH (GB) 1996-05-14 US disclosed
CN-1061962-A INDENOINDOLE COMPOUNDS UNIV BATH (GB) 1992-06-17 CN disclosed
WO-1992006956-A1 INDENOINDOLE COMPOUNDS UNIVERSITY OF BATH (GB) 1992-04-30 WO disclosed
EP-0481708-A1 Indenoindole compounds UNIVERSITY OF BATH (GB) 1992-04-22 EP disclosed
EP-0106326-A1 1-Amino or nitro-3,5-disubstituted-4-ethoxybenzenes and their production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-04-25 EP disclosed
JP-S5970649-A 4-ETHOXYNITROBENZENE DERIVATIVE AND ITS PREPARATION SUMITOMO CHEM CO LTD 1984-04-21 JP 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 (1 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-20100029632-A1 BROADSPECTRUM 2-AMINO-BENZOXAZOLE SULFONAMIDE HIV PROTEASE INHIBITORS CYP2S1, CYP2C8, CYP2A7 ALDH1A1 1387/4885TDP1 3884/4885TSHR 4295/4885

“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.