SCHEMBL538711

SCHEMBL538711

CCOC(=O)c1cnc2ccc([N+](=O)[O-])cc2c1O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
MAPT P10636 12/20 0.48
GAA P10253 3/20 0.48
MAOB P27338 1/20 0.47
MAPK1 P28482 2/20 0.47
ALDH1A1 P00352 5/20 0.46
LMNA P02545 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ELANE P08246 1/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 3/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL538232 0.92 SMN1; SMN2 (0.55) SMN1; SMN2MAPTGAAMAOBALDH1A1
SCHEMBL538523 0.87 SMN1; SMN2 (0.53) SMN1; SMN2MAPTGAAMAOBMAPK1
SCHEMBL538189 0.82 SMN1; SMN2 (0.53) SMN1; SMN2MAPTGAAMAOBMAPK1
SCHEMBL6200293 0.82 MAPK1 (0.55) SMN1; SMN2MAPTGAAMAPK1ALDH1A1
SCHEMBL1467161 0.82 MAPK1 (0.65) SMN1; SMN2MAPTGAAMAPK1ALDH1A1
SCHEMBL11066821 0.81 MEN1 (0.51) SMN1; SMN2MAPTGAAMAPK1ALDH1A1
SCHEMBL11322508 0.81 ALDH1A1 (0.48) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL12850078 0.80 MEN1 (0.50) MAPTGAAMAPK1ALDH1A1LMNA
SCHEMBL1616605 0.80 MAPK1 (0.53) SMN1; SMN2MAPTGAAMAPK1ALDH1A1
SCHEMBL618410 0.80 MAPT (0.62) SMN1; SMN2MAPTGAAALDH1A1LMNA

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 19 patents. 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
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-100457737-C Quinolyl amide derivative and its prepn process and use INST PHARM & TOXICOLOGY AMMS (CN) 2009-02-04 CN disclosed
WO-2008154438-A1 THERAPEUTIC PYRAZOLOQUINOLINE DERIVATIVES HELICON THERAPEUTICS, INC. (US) 2008-12-18 WO disclosed
US-20080306049-A1 THERAPEUTIC PYRAZOLOQUINOLINE DERIVATIVES HELICON THERAPEUTICS, INC. (US) 2008-12-11 US disclosed
US-20080306049-A1 THERAPEUTIC PYRAZOLOQUINOLINE DERIVATIVES HELICON THERAPEUTICS, INC. (US) 2008-12-11 US disclosed
US-20080306049-A1 THERAPEUTIC PYRAZOLOQUINOLINE DERIVATIVES HELICON THERAPEUTICS, INC. (US) 2008-12-11 US disclosed
CN-1847226-A Quinolyl amide derivative and its prepn process and use INST OF TOXICANT PHARMACOLOGY (CN) 2006-10-18 CN disclosed
EP-1042295-B1 4-HYDROXYQUINOLINE-3-CARBOXAMIDES AND HYDRAZIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN CO LLC (US) 2005-09-07 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 (2 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-20080306049-A1 THERAPEUTIC PYRAZOLOQUINOLINE DERIVATIVES GABRA5, GABRB1, GABRB2 SMN1; SMN2 2752/4885MAPT 461/4885GAA 2233/4885
US-20110065693-A1 THERAPEUTIC PYRAZOLOQUINOLINE DERIVATIVES GABRA5, GABRB1, GABRB2 SMN1; SMN2 2752/4885MAPT 461/4885GAA 2233/4885

“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.