SCHEMBL1893248

SCHEMBL1893248

CC1CN(c2cccc(C=O)c2)CC(C)O1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.44
ALDH1A1 P00352 5/20 0.43
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
TSHR P16473 1/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 2/20 0.40
RAB9A P51151 1/20 0.40
FGFR1 P11362 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PRKDC P78527 2/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL12661593 1.00 HSD17B10 (0.44) HSD17B10ALDH1A1PKMMAPK1TSHR
SCHEMBL17360063 0.80 TRIM24 (0.52) HSD17B10ALDH1A1PKMMAPK1TSHR
SCHEMBL6224086 0.80 TRIM24 (0.52) HSD17B10ALDH1A1PKMMAPK1TSHR
SCHEMBL2722663 0.79 HTR3E (0.50) HSD17B10ALDH1A1MAPTKMT2A
SCHEMBL30286268 0.79 ALDH1A1 (0.44) ALDH1A1KDM4EFGFR1PRKDCDRD2
SCHEMBL14321601 0.79 HSD17B10 (0.60) HSD17B10ALDH1A1TSHRMAPTGAA
SCHEMBL10182584 0.79 HTR3E (0.50) HSD17B10ALDH1A1MAPTKMT2A
SCHEMBL2722659 0.79 HTR3E (0.50) HSD17B10ALDH1A1MAPTKMT2A
SCHEMBL15861781 0.79 ALDH1A1 (0.44) HSD17B10ALDH1A1GAAKDM4ERAB9A
SCHEMBL28994726 0.79 ALDH1A1 (0.44) ALDH1A1KDM4EFGFR1PRKDCDRD2

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 6 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
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2015-02-26 US disclosed
US-8846947-B2 Benzimidazoles and related analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2014-09-30 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

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 HSD17B10 1684/4885ALDH1A1 639/4885PKM 392/4885
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 HSD17B10 2319/4885ALDH1A1 1031/4885PKM 579/4885

“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.