Sugi Predict

Sugi Predict / Compounds / SCHEMBL538232

SCHEMBL538232

SCHEMBL538232

CCOC(=O)c1cnc2cc([N+](=O)[O-])ccc2c1O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ MAPT P10636 11/20 0.54
▸ GAA P10253 2/20 0.54
▸ MAOB P27338 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ POLB P06746 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ ELANE P08246 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ MITF O75030 1/20 0.43

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
SCHEMBL538711 0.92 SMN1; SMN2 (0.54) SMN1; SMN2MAPTGAAMAOBKDM4E
SCHEMBL538189 0.88 SMN1; SMN2 (0.53) SMN1; SMN2MAPTGAAMAOBKDM4E
SCHEMBL27994454 0.83 CA12 (0.54) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL5767699 0.83 MAPK1 (0.55) SMN1; SMN2MAPTGAAKDM4EALDH1A1
SCHEMBL10341241 0.82 MEN1 (0.46) SMN1; SMN2MAPTGAAKDM4EALDH1A1
SCHEMBL6202379 0.81 MAPK1 (0.47) SMN1; SMN2MAPTGAAKDM4EALDH1A1
SCHEMBL2723624 0.81 MAPK1 (0.57) SMN1; SMN2MAPTGAANPC1RAB9A
SCHEMBL621551 0.81 MAPT (0.53) SMN1; SMN2MAPTGAAKDM4EALDH1A1
SCHEMBL1178859 0.81 MEN1 (0.55) SMN1; SMN2MAPTGAAKDM4ENPC1
SCHEMBL538523 0.81 SMN1; SMN2 (0.53) SMN1; SMN2MAPTGAAMAOBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8598159-B2 Therapeutic pyrazoloquinoline derivatives DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2013-12-03 — — US disclosed
EP-2166852-B1 THERAPEUTIC PYRAZOLOQUINOLINE DERIVATIVES HELICON THERAPEUTICS INC (US) 2012-02-08 — — EP disclosed
US-20110065693-A1 THERAPEUTIC PYRAZOLOQUINOLINE DERIVATIVES HELICON THERAPEUTICS, INC. (US) 2011-03-17 — — US disclosed
US-20110065693-A1 THERAPEUTIC PYRAZOLOQUINOLINE DERIVATIVES HELICON THERAPEUTICS, INC. (US) 2011-03-17 — — US disclosed
US-20110065693-A1 THERAPEUTIC PYRAZOLOQUINOLINE DERIVATIVES HELICON THERAPEUTICS, INC. (US) 2011-03-17 — — US disclosed
US-7872002-B2 Therapeutic pyrazoloquinoline derivatives HELICON THERAPEUTICS, INC. (US) 2011-01-18 — — US disclosed
US-7872002-B2 Therapeutic pyrazoloquinoline derivatives HELICON THERAPEUTICS, INC. (US) 2011-01-18 — — US disclosed
US-7872002-B2 Therapeutic pyrazoloquinoline derivatives HELICON THERAPEUTICS, INC. (US) 2011-01-18 — — US disclosed
CN-101742908-A therapeutic pyrazoloquinoline derivatives HELICON THERAPEUTICS INC 2010-06-16 — — CN disclosed
EP-2166852-A1 THERAPEUTIC PYRAZOLOQUINOLINE DERIVATIVES Helicon Therapeutics, Inc. (US) 2010-03-31 — — EP disclosed
US-20020161233-A1 Methods of making quinoline amides TOM NORMA J (US) 2002-10-31 — — US disclosed
US-20020132806-A1 7-[(4'-trifluoromethyl-biphenyl-2-carbonyl)amino]-quinoline-3-carboxylic acid amides, and methods of inhibiting the secretion of apolipoprotein B RUGGERI ROGER (US) 2002-09-19 — — US disclosed
US-6417367-B1 THAT ARE MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) INHIBITORS USEFUL FOR TREATING HYPERCHOLESTEROLEMIA FOR EXAMPLE; FEWER SYNTHESIS STEPS, STARTING MATERIALS ARE AN ACYL HALIDE AND M-NITROANILINE PFIZER INC. 2002-07-09 — — US disclosed
US-20020042516-A1 Methods of making quinoline amides TOM NORMA J (US) 2002-04-11 — — US disclosed
US-6369075-B1 7[4′-trifluoromethyl-biphenyl-2-carbonyl)amino]-quinoline-3-carboxylic acid amides, and method of inhibiting the secretion of apolipoprotein B PFIZER, INC. 2002-04-09 — — US disclosed
WO-2002000622-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 — — WO disclosed
EP-1099701-A1 7-[(4'-Trifluoromethyl-biphenyl-2-carbonyl)amino]-quinoline-3-carboxylic acid amides, and methods of inhibiting the secretion of apolipoprotein B Pfizer Products Inc. (US) 2001-05-16 — — EP disclosed
EP-1042295-A1 4-HYDROXYQUINOLINE-3-CARBOXAMIDES AND HYDRAZIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2000-10-11 — — EP disclosed
US-6093732-A PREVENT HERPESVIRAL INFECTIONS, PARTICULARLY, HUMAN CYTOMEGALOVIRAL INFECTION PHARMACIA & UPJOHN COMPANY (US) 2000-07-25 — — US disclosed
WO-1999032450-A1 4-HYDROXYQUINOLINE-3-CARBOXAMIDES AND HYDRAZIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 1999-07-01 — — WO 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 (4 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-20020161233-A1 Methods of making quinoline amides CETP, MTTP, LCAT SMN1; SMN2 4315/4885MAPT 2779/4885GAA 336/4885
US-20020042516-A1 Methods of making quinoline amides CETP, MTTP, LCAT SMN1; SMN2 4315/4885MAPT 2779/4885GAA 336/4885
US-20110065693-A1 THERAPEUTIC PYRAZOLOQUINOLINE DERIVATIVES GABRA5, GABRB1, GABRB2 SMN1; SMN2 2752/4885MAPT 461/4885GAA 2233/4885
US-20020132806-A1 7-[(4'-trifluoromethyl-biphenyl-2-carbonyl)amino]-quinoline-3-carboxylic acid amides, and methods of inhibiting the secretion of apolipoprotein B APOB, CETP, PNLIP SMN1; SMN2 3138/4885MAPT 4189/4885GAA 506/4885

“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.