SCHEMBL1759573

SCHEMBL1759573

O=C(O)c1cccc2c1CCCC2=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.51
GAA P10253 1/20 0.46
CYP2A6 P11509 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
POLB P06746 1/20 0.45
APOBEC3A P31941 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 4/20 0.44
MAPT P10636 2/20 0.44
MYC P01106 1/20 0.44
LMNA P02545 1/20 0.44
HSD17B10 Q99714 2/20 0.44
GFER P55789 1/20 0.44
BRD4 O60885 1/20 0.43
HSP90AA1 P07900 1/20 0.43
LIG1 P18858 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL31032281 0.89 ALDH1A1 (0.47) MRGPRX4GAAL3MBTL1POLBALDH1A1
SCHEMBL569778 0.89 ALDH1A1 (0.47) MRGPRX4GAAL3MBTL1POLBALDH1A1
SCHEMBL30853881 0.84 BRD4 (0.52) MRGPRX4CYP2A6MAOAMAOBPOLB
SCHEMBL28041457 0.80 MAOA (0.56) MRGPRX4CYP2A6MAOAMAOBHSD17B10
SCHEMBL5886388 0.80 PTPRC (0.48) MRGPRX4CYP2A6MAOAMAOBL3MBTL1
SCHEMBL11007908 0.79 HSP90AA1 (0.51) CYP2A6MAOAMAOBL3MBTL1ALDH1A1
SCHEMBL6808475 0.79 BRD4 (0.45) MRGPRX4CYP2A6MAOAMAOBHSD17B10
SCHEMBL3613341 0.79 CXCR5 (0.53) MRGPRX4L3MBTL1ALDH1A1HSD17B10GFER
SCHEMBL15556851 0.77 SLC22A6 (0.43) MRGPRX4GAAMAOAMAOBL3MBTL1
SCHEMBL14840327 0.77 MRGPRX4 (0.39) MRGPRX4GAACYP2A6MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250017914-A1 6-AZA-QUINOLINE DERIVATIVES AND RELATED USES BLACK DIAMOND THERAPEUTICS, INC. 2025-01-16 US disclosed
EP-4399210-A1 6-AZA-QUINOLINE DERIVATIVES AND RELATED USES Black Diamond Therapeutics, Inc. (US) 2024-07-17 EP disclosed
CN-118159537-A 6-Aza-quinoline derivatives and related uses 黑钻治疗公司 2024-06-07 CN disclosed
WO-2023039505-A1 6-AZA-QUINOLINE DERIVATIVES AND RELATED USES BLACK DIAMOND THERAPEUTICS, INC. (US) 2023-03-16 WO disclosed
US-8569535-B2 Substituted benzoylamino-indan-2-carboxylic acids and related compounds SANOFI (FR) 2013-10-29 US disclosed
US-8569535-B2 Substituted benzoylamino-indan-2-carboxylic acids and related compounds SANOFI (FR) 2013-10-29 US disclosed
US-8569535-B2 Substituted benzoylamino-indan-2-carboxylic acids and related compounds SANOFI (FR) 2013-10-29 US disclosed
US-20120253046-A1 PALONOSETRON METABOLITES HELSINN HEALTHCARE S.A. (CH) 2012-10-04 US disclosed
EP-2499137-A1 PALONOSETRON METABOLITES Helsinn Healthcare S.A. (CH) 2012-09-19 EP disclosed
WO-2011058427-A1 PALONOSETRON METABOLITES HELSINN HEALTHCARE S.A. (CH) 2011-05-19 WO disclosed
EP-2155711-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS Sanofi-Aventis (FR) 2010-02-24 EP disclosed
WO-2008151211-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS SANOFI-AVENTIS (FR) 2008-12-11 WO disclosed
WO-2008151211-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS SANOFI-AVENTIS (FR) 2008-12-11 WO disclosed
US-20070191420-A1 Kinase inhibitors DEVGEN NV 2007-08-16 US disclosed
EP-1715862-A1 KINASE INHIBITORS Devgen NV (BE) 2006-11-02 EP disclosed
WO-2005082367-A1 KINASE INHIBITORS DEVGEN NV (BE) 2005-09-09 WO disclosed
US-5492914-A ADMINISTERING TO TREAT A CONDITION CHOSEN FROM EMESIS, PSYCHOSIS, ANXIETY/DEPRESSIVE STATE, HYPERTENSION, ARRHYTHMIA AND PAIN SYNTEX (U.S.A.) INC. (US) 1996-02-20 US disclosed
US-4111997-A ANTIPYRETIC, ANALGESIC, ANTIINFLAMMATORY TAKEDA CHEMICAL COMPANY, LTD. (JP) 1978-09-05 US disclosed
US-4007225-A ANTIPYRETIC, ANALGESIC, ANTIINFLAMMATORY TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1977-02-08 US disclosed
US-3953500-A ANTIPYRETICS, ANALGESICS, ANTIINFLAMMATORY AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1976-04-27 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 (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-20120253046-A1 PALONOSETRON METABOLITES CYP3A5, MC2R, CYP21A2 MRGPRX4 161/4885GAA 4095/4885CYP2A6 120/4885
US-20250017914-A1 6-AZA-QUINOLINE DERIVATIVES AND RELATED USES TOP2A, TOP2B, UGT2B7 MRGPRX4 1366/4885GAA 331/4885CYP2A6 86/4885
US-20070191420-A1 Kinase inhibitors ROCK1, ROCK2, MAP3K20 MRGPRX4 1845/4885GAA 1877/4885CYP2A6 3218/4885

“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.