SCHEMBL1915500

SCHEMBL1915500

CNc1nc(-c2ccccc2-c2ccc(Cl)cc2)cs1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.72
RAB9A P51151 2/20 0.72
AR P10275 1/20 0.55
ALOX5 P09917 4/20 0.54
MAPT P10636 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 2/20 0.51
LMNA P02545 1/20 0.51
ALOX15 P16050 1/20 0.51
ALOX12 P18054 1/20 0.51
HSD17B10 Q99714 1/20 0.51
KDM1A O60341 7/20 0.51
MAOA P21397 3/20 0.50
KDM4E B2RXH2 1/20 0.50
THRB P10828 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ABL1 P00519 1/20 0.49
EGFR P00533 1/20 0.48
ATM Q13315 1/20 0.47

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
SCHEMBL1915608 0.88 AR (0.56) NPC1RAB9AARALOX5MAPT
SCHEMBL1916179 0.86 AR (0.56) NPC1RAB9AARALOX5MAPT
SCHEMBL1916862 0.85 NPC1 (0.55) NPC1RAB9AARMAPTMEN1
SCHEMBL14048212 0.84 NPC1 (1.00) NPC1RAB9AARALOX5MAPT
SCHEMBL1915793 0.83 NPC1 (0.54) NPC1RAB9AARALOX5MAPT
SCHEMBL1915767 0.83 MEN1 (0.58) NPC1RAB9AARALOX5MAPT
SCHEMBL1916049 0.83 AR (0.52) NPC1RAB9AARMAPTMEN1
SCHEMBL1915486 0.82 NPC1 (0.54) NPC1RAB9AARMAPTMEN1
SCHEMBL2399679 0.82 AR (0.51) NPC1RAB9AARMAPTMEN1
SCHEMBL1916379 0.81 NPC1 (0.58) NPC1RAB9AARMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1681/4885AR 2226/4885

“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.