SCHEMBL1915360

SCHEMBL1915360

CNc1nc(-c2ccc(Cl)cc2Br)cs1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
AMY1A P0DUB6 1/20 0.47
PKM P14618 1/20 0.46
MAPT P10636 4/20 0.45
MAOB P27338 6/20 0.45
MAOA P21397 5/20 0.45
AR P10275 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
THRB P10828 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP1B1 Q16678 1/20 0.41
LMNA P02545 2/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RORC P51449 2/20 0.41

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
SCHEMBL1915728 0.88 NPC1 (0.59) NPC1RAB9AAMY1APKMMAPT
SCHEMBL14355162 0.85 AMY1A (0.63) NPC1RAB9AAMY1APKMMAPT
SCHEMBL31006091 0.85 AMY1A (0.63) NPC1RAB9AAMY1APKMMAPT
SCHEMBL24590339 0.82 NPC1 (0.45) NPC1RAB9AMAPTMAOBMAOA
SCHEMBL1916174 0.82 PKM (0.65) NPC1RAB9AAMY1APKMMAPT
SCHEMBL1915686 0.81 TYR (0.52) NPC1RAB9AAMY1APKMMAPT
SCHEMBL1914839 0.78 HSD17B10 (0.60) NPC1RAB9AAMY1APKMMAPT
SCHEMBL1916208 0.77 NPC1 (0.51) NPC1RAB9APKMMAPTAR
SCHEMBL2398498 0.76 NPC1 (0.55) NPC1RAB9AAMY1APKMMAPT
SCHEMBL1915392 0.76 AR (0.43) NPC1RAB9APKMMAPTMAOB

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
CN-102245574-A Compounds, pharmaceutical compositions and methods for treating metabolic disorders EUROSCREEN SA 2011-11-16 CN 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 1681/4885AMY1A 320/4885

“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.