SCHEMBL209949

SCHEMBL209949

CC(=O)c1cc2c(cc1N)OCO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
KDM4E B2RXH2 7/20 0.53
SMN1; SMN2 Q16637 4/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAPT P10636 5/20 0.49
GAA P10253 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NPC1 O15118 1/20 0.49
PKM P14618 1/20 0.49
RAB9A P51151 1/20 0.49
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALOX15 P16050 1/20 0.45
POLB P06746 2/20 0.44
MCL1 Q07820 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
SCHEMBL30014749 1.00 ALDH1A1 (0.53) ALDH1A1KDM4ESMN1; SMN2NPSR1MAPT
SCHEMBL31127883 0.89 KDM4E (0.67) ALDH1A1KDM4ESMN1; SMN2MAPTGAA
SCHEMBL21721961 0.89 KDM4E (0.67) ALDH1A1KDM4ESMN1; SMN2MAPTGAA
SCHEMBL23626284 0.87 KDM4E (0.43) ALDH1A1KDM4ESMN1; SMN2NPSR1MAPT
SCHEMBL30952902 0.87 KDM4E (0.43) ALDH1A1KDM4ESMN1; SMN2NPSR1MAPT
SCHEMBL363189 0.84 KDM4E (0.61) ALDH1A1KDM4ESMN1; SMN2MAPTGAA
SCHEMBL7668928 0.82 MAPT (0.50) ALDH1A1KDM4ESMN1; SMN2MAPTGAA
SCHEMBL29590055 0.82 ALDH1A1 (0.50) ALDH1A1KDM4ESMN1; SMN2MAPTGAA
SCHEMBL7018429 0.82 ALDH1A1 (0.50) ALDH1A1KDM4ESMN1; SMN2MAPTGAA
SCHEMBL6840865 0.81 KDM4E (0.50) ALDH1A1KDM4ESMN1; SMN2NPSR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10092786-B2 Fire extinguishing composition comprising aldoketones compound XI'AN WESTPEACE FIRE TECHNOLOGY CO., LTD. (CN) 2018-10-09 US claimed
US-20160332016-A1 Fire Extinguishing Composition Comprising Aldoketones Compound NANO FIRE, LLC 2016-11-17 US claimed
EP-1506196-B1 PYRAZOLOPYRIMIDINES AS SODIUM CHANNEL INHIBITORS ICAGEN INC (US) 2012-01-18 EP claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006058338-A2 4 - PIPERIDINECARBOXAMIDE DERIVATIVES AS MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 WO claimed
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 US claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
EP-4696331-A1 ANTI-CDH6 ANTIBODY-DRUG CONJUGATE AND USE THEREOF Hainan Simcere Zaiming Pharmaceutical Co., Ltd. (CN) 2026-02-18 EP disclosed
US-12509465-B2 Benzoimidazole derivatives as anticancer agents CENTRE LEON BERARD (FR) 2025-12-30 US disclosed
US-20250346606-A1 CAMPTOTHECIN COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2025-11-13 US disclosed
US-20250304717-A1 CAMPTOTHECIN DERIVATIVE AND LIGAND-DRUG CONJUGATE HAINAN SIMCERE ZAIMING PHARMACEUTICAL CO., LTD. (CN) 2025-10-02 US disclosed
US-20250270227-A1 CAMPTOTHECIN DERIVATIVE, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF HAINAN SIMCERE ZAIMING PHARMACEUTICAL CO., LTD. (CN) 2025-08-28 US disclosed
EP-3806661-B1 USE OF ANTAGONISTS OF T2R54 FIRMENICH INCORPORATED (US) 2025-07-02 EP disclosed
US-5571822-A AMINO-2-PHENYL-4-QUINOLONE DERIVATIVES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1996-11-05 US disclosed
WO-1996031492-A1 THIENYL-, FURYL-, PYRROLYL- AND BIPHENYLSULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1996-10-10 WO disclosed
US-5536853-A Opiate receptor ligands CHIRON CORPORATION (US) 1996-07-16 US disclosed
WO-1996010563-A1 2-ARYL-4-QUINOLONES AS ANTITUMOR COMPOUNDS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1996-04-11 WO disclosed
US-4495351-A FOR UROGENVITAL DISORDERS VEB ARZNEIMITTELWERK DRESDEN (DD) 1985-01-22 US disclosed
US-3987047-A ANORETICS BOEHRINGER INGELHEIM GMBH (DT) 1976-10-19 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 (5 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-12509465-B2 Benzoimidazole derivatives as anticancer agents CCAR2, MAPKAP1, BCOR ALDH1A1 3500/4885KDM4E 4285/4885SMN1; SMN2 2392/4885
US-20250346606-A1 CAMPTOTHECIN COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF WEE1, WEE2, PCLAF ALDH1A1 1750/4885KDM4E 4289/4885SMN1; SMN2 4249/4885
US-20250270227-A1 CAMPTOTHECIN DERIVATIVE, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF TOP2B, TOP2A, TOP1 ALDH1A1 2430/4885KDM4E 4680/4885SMN1; SMN2 3897/4885
US-20250304717-A1 CAMPTOTHECIN DERIVATIVE AND LIGAND-DRUG CONJUGATE LPXN, CLSPN, SELL ALDH1A1 1887/4885KDM4E 4452/4885SMN1; SMN2 4270/4885
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor VDAC1, TRPV1, HVCN1 ALDH1A1 1117/4885KDM4E 2664/4885SMN1; SMN2 4223/4885

“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.