SCHEMBL1895481

SCHEMBL1895481

Nc1ccc(CN2CCN(C(=O)OCc3ccccc3)CC2)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.53
FNTB P49356 2/20 0.53
PGGT1B P53609 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CYP2C19 P33261 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
HDAC1 Q13547 1/20 0.48
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
FAAH O00519 1/20 0.47
GRIN2B Q13224 2/20 0.46
KDM4E B2RXH2 2/20 0.46

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
SCHEMBL13150160 0.86 KMT2A (0.62) FNTAFNTBPGGT1BSMN1; SMN2MEN1
SCHEMBL12661536 0.86 FNTA (0.61) FNTAFNTBPGGT1BSMN1; SMN2MEN1
SCHEMBL26448072 0.85 DRD2 (0.53) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1
SCHEMBL29754386 0.85 DRD2 (0.53) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1
SCHEMBL2024157 0.81 KMT2A (0.53) SMN1; SMN2MEN1KMT2AFAAHKDM4E
SCHEMBL1126310 0.81 SIGMAR1 (0.60) KMT2ANPC1RAB9AALDH1A1LMNA
SCHEMBL20303602 0.80 FNTA (0.49) FNTAFNTBPGGT1BSMN1; SMN2MEN1
SCHEMBL1704512 0.79 ALDH1A1 (0.66) FNTAFNTBPGGT1BSMN1; SMN2MEN1
SCHEMBL4192541 0.79 KMT2A (0.56) FNTAFNTBPGGT1BSMN1; SMN2MEN1
SCHEMBL20353635 0.79 FAAH (0.60) MEN1KMT2ANPSR1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2315763-B1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-06-01 EP disclosed
EP-2315763-B1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-06-01 EP disclosed
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2015-02-26 US disclosed
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2015-02-26 US disclosed
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2015-02-26 US disclosed
CN-104193740-A BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS INC 2014-12-10 CN disclosed
US-8846947-B2 Benzimidazoles and related analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2014-09-30 US disclosed
CN-102143957-B Benzimidazoles and related analogs as sirtuin modulators SIRTRIS PHARMACEUTICALS INC 2014-08-20 CN disclosed
CN-102143957-A Benzimidazoles and related analogs as sirtuin modulators SIRTRIS PHARMACEUTICALS INC 2011-08-03 CN disclosed
US-20110124637-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-05-26 US disclosed
US-20110124637-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-05-26 US disclosed
US-20110124637-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-05-26 US disclosed
EP-2315763-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-05-04 EP disclosed
WO-2010003048-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-01-07 WO disclosed
WO-2010003048-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-01-07 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-20110124637-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 FNTA 2585/4885FNTB 1333/4885PGGT1B 1295/4885
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 FNTA 2785/4885FNTB 1789/4885PGGT1B 1628/4885

“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.