SCHEMBL7970044

SCHEMBL7970044

Cn1nc(-c2ccc(-c3ccccc3F)cc2)c(O)c1-c1nc2cc3c(cc2[nH]1)CNC3

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCD O00767 5/20 0.43
FADS1 O60427 1/20 0.42
GUSB P08236 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
PDE10A Q9Y233 1/20 0.39
DHODH Q02127 4/20 0.39
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35

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
SCHEMBL7972344 0.89 SMN1; SMN2 (0.41) GUSBNPC1ALDH1A1PKMRAB9A
SCHEMBL7973528 0.89 CHEK2 (0.42) SCDGUSBNPC1ALDH1A1RAB9A
SCHEMBL7972135 0.88 PDE10A (0.37) SCDPDE10ANPC1RAB9A
SCHEMBL7971018 0.88 HSD17B10 (0.37) PDE10ANPC1ALDH1A1RAB9A
SCHEMBL7970061 0.87 GUSB (0.39) GUSBPDE10ANPC1ALDH1A1RAB9A
SCHEMBL7975958 0.87 PDE10A (0.40) GUSBHDAC6PDE10ADHODHHCRTR1
SCHEMBL10139983 0.87 PDE10A (0.40) GUSBPDE10AALDH1A1RAB9A
SCHEMBL7970581 0.86 F9 (0.40) GUSBNPC1ALDH1A1RAB9A
SCHEMBL20307843 0.86 NPC1 (0.34) GUSBPDE10ANPC1ALDH1A1PKM
SCHEMBL7973860 0.85 CHEK2 (0.38) DHODHHCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2805939-B1 Heterocyclic compounds as factor IXA inhibitors. MERCK SHARP & DOHME (US) 2018-06-27 EP disclosed
EP-2805939-A1 Heterocyclic compounds as factor IXA inhibitors. Merck Sharp & Dohme Corp. (US) 2014-11-26 EP disclosed
US-8148363-B2 Heterocyclic compounds as factor IXA inhibitors SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-8148363-B2 Heterocyclic compounds as factor IXA inhibitors SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-17 US disclosed
US-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-17 US disclosed
WO-2009143039-A2 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS SCHERING CORPORATION (US) 2009-11-26 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 (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-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS F9, F12, F8 SCD 2674/4885FADS1 1961/4885GUSB 599/4885

“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.