SCHEMBL1914928

SCHEMBL1914928

CNc1nc(-c2cc(Cl)cc(Cl)c2)cs1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.70
RAB9A P51151 3/20 0.70
AR P10275 1/20 0.55
ALOX5 P09917 3/20 0.54
MAPT P10636 2/20 0.49
ABL1 P00519 2/20 0.48
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP1A1 P04798 4/20 0.47
CYP1A2 P05177 4/20 0.47
CYP1B1 Q16678 4/20 0.47
KDM1A O60341 2/20 0.46
MAOA P21397 1/20 0.46
TSHR P16473 1/20 0.44
EGFR P00533 1/20 0.44

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
SCHEMBL21301111 0.85 NPC1 (0.56) NPC1RAB9AARALOX5MAPT
SCHEMBL14048212 0.82 NPC1 (1.00) NPC1RAB9AARALOX5MAPT
SCHEMBL18724185 0.79 RAB9A (0.56) NPC1RAB9AARALOX5MAPT
SCHEMBL9645864 0.78 NPC1 (0.69) NPC1RAB9AARALOX5MAPT
SCHEMBL21006642 0.77 RAB9A (0.58) NPC1RAB9AARALOX5MAPT
SCHEMBL1914889 0.77 NPC1 (0.54) NPC1RAB9AARALOX5MAPT
SCHEMBL13513636 0.75 RAB9A (0.64) NPC1RAB9AARMAPTABL1
SCHEMBL1916862 0.75 NPC1 (0.55) NPC1RAB9AARMAPTABL1
SCHEMBL259707 0.74 RAB9A (0.69) NPC1RAB9AARALOX5MAPT
SCHEMBL2573440 0.74 RAB9A (0.69) 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.