SCHEMBL212127

SCHEMBL212127

O=CNc1cnc2ccccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.54
NPSR1 Q6W5P4 1/20 0.53
KDM4E B2RXH2 7/20 0.53
RAB9A P51151 10/20 0.50
NPC1 O15118 9/20 0.50
SMN1; SMN2 Q16637 7/20 0.50
ALDH1A1 P00352 5/20 0.50
POLB P06746 2/20 0.50
MAPT P10636 2/20 0.50
ACP1 P24666 1/20 0.49
LMNA P02545 4/20 0.49
HSD17B10 Q99714 2/20 0.49
TSHR P16473 1/20 0.49
MITF O75030 1/20 0.49
XBP1 P17861 1/20 0.49
PAX8 Q06710 1/20 0.49
KLF5 Q13887 1/20 0.49
ALPL P05186 1/20 0.49
HTT P42858 2/20 0.48
TP53 P04637 1/20 0.48

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
SCHEMBL28134632 0.98 KDR (0.53) KDRNPSR1KDM4ERAB9ANPC1
SCHEMBL11591505 0.79 NPSR1 (0.57) KDRNPSR1KDM4ERAB9ANPC1
SCHEMBL11591503 0.79 NPSR1 (0.57) KDRNPSR1KDM4ERAB9ANPC1
SCHEMBL28170955 0.79 NPC1 (0.41) KDRNPSR1KDM4ERAB9ANPC1
SCHEMBL28152569 0.79 NPC1 (0.41) KDRNPSR1KDM4ERAB9ANPC1
SCHEMBL28302813 0.78 NPC1 (0.40) KDRNPSR1KDM4ERAB9ANPC1
SCHEMBL27805824 0.77 ALDH1A1 (0.39) KDRKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL10133307 0.77 NPC1 (0.61) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL349142 0.76 KDR (0.55) KDRNPSR1KDM4ERAB9ANPC1
SCHEMBL28067551 0.76 ALDH1A1 (0.38) KDRKDM4ERAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110520127-A Piperidinyl-substituted and piperazinyl-substituted heteroaromatic carboxamides as modulators of GPR6 TAKEDA PHARMACEUTICALS CO 2019-11-29 CN claimed
CN-107001240-B Dipeptidyl ketoamide compounds and their use for treating and/or preventing fat accumulation 兰德施泰纳根梅德公司 2019-11-05 CN claimed
CN-107434782-B A kind of synthetic method of 4- oxyquinoline ketone derivatives and its application in antitumor research 重庆文理学院 2019-11-05 CN claimed
CN-106467541-B Substituted quinolone analog derivative or its pharmaceutically acceptable salt or stereoisomer and its Pharmaceutical composition and application 暨南大学 2019-04-05 CN claimed
CN-109563033-A Aliphatic Prolinamide derivatives 奥瑞恩眼科有限责任公司 2019-04-02 CN claimed
CN-109476637-A heterocyclic Prolinamide derivatives 奥瑞恩眼科有限责任公司 2019-03-15 CN claimed
CN-109384793-A A kind of sulfur alcohol compound and its application with HDAC6 inhibitory activity 沈阳药科大学 2019-02-26 CN claimed
CN-109310675-A Therapeutic inhibiting compound 莱福斯希医药公司 2019-02-05 CN claimed
CN-109071525-A dimeric compounds 豪夫迈·罗氏有限公司 2018-12-21 CN claimed
CN-108884084-A Cinnolines -4- amine compounds and its purposes in treating cancer 阿斯利康(瑞典)有限公司 2018-11-23 CN claimed
CN-108430992-A QUINOLINE-3-CARBOXAMIDES AS H-PGDS INHIBITORS 阿斯特克斯医疗公司 2018-08-21 CN claimed
CN-105198786-B Amides compound of aryl substitution and preparation method thereof, the pharmaceutical composition comprising it and its application 中国医学科学院医药生物技术研究所 2018-06-29 CN claimed
CN-105073738-B Quinoline and quinoxaline amide-type as sodium channel modulators 沃泰克斯药物股份有限公司 2018-01-05 CN claimed
CN-107072985-A Therapeutic inhibiting compound 莱福斯希医药公司 2017-08-18 CN claimed
CN-103804352-B Triazole phenethyl tetrahydroisoquinolicompounds compounds and its preparation method and application 中国药科大学 2017-06-13 CN claimed
CN-103917525-B The inhibitor of LRRK2 kinase activity 依兰制药公司 2016-08-17 CN claimed
US-6797820-B2 HYDROXAMATE DERIVATIVES THAT INHIBIT PEPTIDYL DEFORMYLASE (PDF), ANTIMICROBIALS AND ANTIBIOTICS VICURON PHARMACEUTICALS INC. 2004-09-28 US claimed
EP-1237862-A1 SUCCINATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AND PREPARATION Versicor, Inc. (US) 2002-09-11 EP claimed
US-20020115863-A1 Novel succinate compounds, compositions and methods of use and preparation VICURON HOLDINGS LLC 2002-08-22 US claimed
WO-2001044179-A1 NOVEL SUCCINATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AND PREPARATION VERSICOR, INC. (US) 2001-06-21 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20020115863-A1 Novel succinate compounds, compositions and methods of use and preparation PDF, MMP2, SDHA KDR 3831/4885NPSR1 3298/4885KDM4E 960/4885

“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.