SCHEMBL1915486

SCHEMBL1915486

CNc1nc(-c2ccccc2-c2ccccc2Cl)cs1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
KMT2A Q03164 3/20 0.52
THRB P10828 2/20 0.52
MAPT P10636 2/20 0.52
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
GSTO1 P78417 1/20 0.52
KDM1A O60341 1/20 0.51
CYP1A1 P04798 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP1B1 Q16678 2/20 0.50
AR P10275 1/20 0.50
LMNA P02545 4/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PTGS2 P35354 1/20 0.47
CYP19A1 P11511 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
SCHEMBL1916379 0.94 NPC1 (0.58) NPC1RAB9AKMT2ATHRBMAPT
SCHEMBL1915470 0.84 NPC1 (0.54) NPC1RAB9AKMT2ATHRBMAPT
SCHEMBL1915500 0.82 NPC1 (0.72) NPC1RAB9AKMT2ATHRBMAPT
SCHEMBL1915608 0.81 AR (0.56) NPC1RAB9AKMT2ATHRBMAPT
SCHEMBL19679620 0.79 KMT2A (0.56) NPC1RAB9AKMT2ATHRBMAPT
SCHEMBL1915553 0.79 NPC1 (0.55) NPC1RAB9AKMT2ATHRBMAPT
SCHEMBL1916862 0.79 NPC1 (0.55) NPC1RAB9AKMT2ATHRBMAPT
SCHEMBL1916174 0.78 PKM (0.65) NPC1RAB9AKMT2AMAPTMEN1
SCHEMBL19631456 0.78 SMN1; SMN2 (0.58) NPC1RAB9AKMT2ATHRBMAPT
SCHEMBL1914839 0.78 HSD17B10 (0.60) NPC1RAB9AKMT2ATHRBMAPT

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 1681/4885KMT2A 3648/4885

“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.