SCHEMBL5878601

SCHEMBL5878601

O=c1[nH]c2ccccc2c(=O)n1CCO

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.82
HPGD P15428 3/20 0.82
KDM4E B2RXH2 3/20 0.70
MAPK1 P28482 1/20 0.67
HSD17B10 Q99714 1/20 0.67
CYP1A2 P05177 1/20 0.66
SMN1; SMN2 Q16637 2/20 0.64
MPO P05164 2/20 0.61
KMT2A Q03164 1/20 0.60
ADORA3 P0DMS8 1/20 0.57
ADORA2A P29274 1/20 0.57
ADORA2B P29275 1/20 0.57
ADORA1 P30542 1/20 0.57
CA12 O43570 1/20 0.57
RNASEH1 O60930 1/20 0.57
ERCC1 P07992 1/20 0.57
ERCC5 P28715 1/20 0.57
FEN1 P39748 1/20 0.57
CA9 Q16790 1/20 0.57
ERCC4 Q92889 1/20 0.57

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
SCHEMBL6295502 0.88 ALDH1A1 (0.89) ALDH1A1HPGDKDM4EMAPK1HSD17B10
SCHEMBL7655992 0.85 ALDH1A1 (0.70) ALDH1A1HPGDKDM4EMAPK1HSD17B10
SCHEMBL30089550 0.83 ALDH1A1 (0.68) ALDH1A1HPGDKDM4EMAPK1HSD17B10
SCHEMBL14692183 0.83 ALDH1A1 (0.68) ALDH1A1HPGDKDM4EMAPK1HSD17B10
SCHEMBL17485188 0.83 ALDH1A1 (0.68) ALDH1A1HPGDKDM4EMAPK1HSD17B10
SCHEMBL4199990 0.83 ALDH1A1 (0.69) ALDH1A1HPGDKDM4EMAPK1HSD17B10
SCHEMBL8074180 0.83 ALDH1A1 (0.68) ALDH1A1HPGDKDM4EMAPK1HSD17B10
SCHEMBL30581253 0.83 ALDH1A1 (0.69) ALDH1A1HPGDKDM4EMAPK1HSD17B10
SCHEMBL1662185 0.83 ALDH1A1 (0.68) ALDH1A1HPGDKDM4EMAPK1HSD17B10
SCHEMBL8692730 0.83 CYP1A2 (0.76) ALDH1A1HPGDKDM4EMAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023133524-A1 A PROCESS FOR SYNTHESIZING KETANSERIN TERRAN BIOSCIENCES, INC. (US) 2023-07-13 WO disclosed
CN-106866625-B Preparation method of ketanserin 上海鼎雅药物化学科技有限公司 2019-12-13 CN disclosed
US-20170298042-A1 VMAT INHIBITORY COMPOUNDS OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-10-19 US disclosed
US-7053114-B2 Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives SUGEN, INC. (US) 2006-05-30 US disclosed
US-6797725-B2 SUCH AS 4-METHYL-5-(2-OXO-1,2-DIHYDROINDOL-3-YLILDENEMETHYL)-1H-PYRROLE-2-CARBOXYLIC ACID FOR PREVENTION AND TREATMENT OF PROTEIN KINASE RELATED CELLULAR DISORDERS; ANTICANCER AGENTS SUGEN, INC. 2004-09-28 US disclosed
US-20040186161-A1 Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives SUGEN, INC. 2004-09-23 US disclosed
US-20030100555-A1 Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives SUGEN. INC. 2003-05-29 US disclosed
WO-2002081466-A1 PRODRUGS OF 3-(PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES SUGEN, INC. (US) 2002-10-17 WO disclosed
US-6407116-B1 2,4-DIOXO-1,2,3,4-TETRAHYDROQUINAZOLINE DERIVATIVES; ANTIALLERGENS, ANTIASTHMATICS, ANTIHISTAMINES, AND ANTIINFLAMMATORY AGENTS TAKEDA CHEMICAL INDUSTRIES, INC. (JP) 2002-06-18 US disclosed
EP-1026160-A1 NITROGENOUS FUSED-RING COMPOUNDS, PROCESS FOR THE PREPARATION OF THE SAME, AND DRUGS Takeda Chemical Industries, Ltd. (JP) 2000-08-09 EP disclosed
WO-1993021163-A1 QUINAZOLONES HAVING CARDIOVASCULAR ACTIVITY ITALFARMACO S.P.A. (IT) 1993-10-28 WO disclosed
US-5198449-A N-substituted alpha-arylazacycloalkylmethanamines and their use as cardiovascular agents A. H. ROBINS COMPANY INCORPORATED (US) 1993-03-30 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-20170298042-A1 VMAT INHIBITORY COMPOUNDS SLC18A2, SLC18A3, SLC6A2 ALDH1A1 887/4885HPGD 2224/4885KDM4E 1821/4885
US-20040186161-A1 Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives PLK2, CDK2, PDPK1 ALDH1A1 1738/4885HPGD 614/4885KDM4E 1069/4885
US-20030100555-A1 Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives PLK2, CDK2, PDPK1 ALDH1A1 1738/4885HPGD 614/4885KDM4E 1069/4885

“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.