SCHEMBL1313667

SCHEMBL1313667

NCc1ccc(-c2noc(C3CCCC3)n2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.65
RAB9A P51151 4/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
CASP3 P42574 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56
CA12 O43570 2/20 0.55
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA9 Q16790 2/20 0.55
PPARA Q07869 1/20 0.55
SPHK1 Q9NYA1 4/20 0.52
AOC3 Q16853 2/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49

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
SCHEMBL1312572 0.99 NPC1 (0.68) NPC1RAB9AL3MBTL1CYP1A2CYP3A4
SCHEMBL1312565 0.99 NPC1 (0.68) NPC1RAB9AL3MBTL1CYP1A2CYP3A4
SCHEMBL1314368 0.85 CA12 (0.49) NPC1RAB9AL3MBTL1CYP1A2CYP3A4
SCHEMBL3133411 0.82 NPC1 (0.68) NPC1RAB9AL3MBTL1CYP1A2CYP3A4
SCHEMBL14061846 0.80 NPC1 (0.97) NPC1RAB9AL3MBTL1CYP1A2CYP3A4
SCHEMBL24326606 0.79 RAB9A (1.00) NPC1RAB9AL3MBTL1CYP1A2CYP3A4
SCHEMBL6468865 0.79 RAB9A (0.60) NPC1RAB9AL3MBTL1CYP1A2CYP3A4
SCHEMBL31375520 0.79 RAB9A (0.60) NPC1RAB9AL3MBTL1CYP1A2CYP3A4
SCHEMBL16945678 0.79 SPHK2 (0.69) NPC1RAB9AL3MBTL1CYP1A2CYP3A4
SCHEMBL16945676 0.79 SPHK2 (0.69) NPC1RAB9AL3MBTL1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110275673-A1 INHIBITORS OF SPHINGOSINE KINASE 1 GENZYME CORPORATION 2011-11-10 US disclosed
WO-2010033701-A2 INHIBITORS OF SPHINGOSINE KINASE 1 GENZYME CORPORATION (US) 2010-03-25 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-20110275673-A1 INHIBITORS OF SPHINGOSINE KINASE 1 SPHK1, SPHK2, S1PR1 NPC1 137/4885RAB9A 3029/4885L3MBTL1 3930/4885

“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.