SCHEMBL37686

SCHEMBL37686

C=CCNc1nc(-c2ccccc2Cl)cs1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.63
RAB9A P51151 6/20 0.63
SMN1; SMN2 Q16637 6/20 0.63
MAPT P10636 6/20 0.63
KMT2A Q03164 3/20 0.63
CYP1A2 P05177 3/20 0.63
NFKB1 P19838 2/20 0.63
NFKB2 Q00653 2/20 0.63
RELA Q04206 2/20 0.63
MEN1 O00255 2/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2D6 P10635 1/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63
GSTO1 P78417 1/20 0.61
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 1/20 0.56
TP53 P04637 1/20 0.56
HPGD P15428 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL38117 0.86 GSTO1 (0.58) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL39270 0.84 NPC1 (0.67) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL37919 0.83 MAPT (0.56) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL1915273 0.81 LMNA (0.60) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL38611 0.80 MAPT (0.53) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL38629 0.80 MAPT (0.74) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL21350016 0.79 TYR (0.58) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL12066366 0.79 NPC1 (0.52) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL1915382 0.79 ALDH1A1 (0.58) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL1915437 0.78 NPC1 (0.51) NPC1RAB9ASMN1; SMN2KMT2ACYP1A2

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
WO-2011151436-A2 NOVEL COMPOUNDS, METHOD FOR USE THEM AND PHARMACEUTICAL COMPOSITION CONTAINING THEM EUROSCREEN S.A. (BE) 2011-12-08 WO disclosed
US-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-09-22 US disclosed
EP-2364297-A1 Compounds, pharmaceutical composition and methods for use in treating metabolic disorders Euroscreen S.A. (BE) 2011-09-14 EP disclosed
WO-2011076734-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATORY DISEASES EUROSCREEN S.A. (BE) 2011-06-30 WO disclosed
WO-2011076732-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING GASTROINTESTINAL DISORDERS EUROSCREEN S.A. (BE) 2011-06-30 WO disclosed
WO-2010066682-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2010-06-17 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-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS CPT1A, LIPC, PC NPC1 28/4885RAB9A 1681/4885SMN1; SMN2 3353/4885

“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.