SCHEMBL16265142

SCHEMBL16265142

CCc1cnc2cc(C)c(Cl)nn12

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HPGD P15428 3/20 0.35
TP53 P04637 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.33
KDM4E B2RXH2 2/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP1A2 P05177 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL19578086 0.79 NPC1 (0.39) NPC1RAB9ASMN1; SMN2HPGDTP53
SCHEMBL3027232 0.76 NPC1 (0.37) NPC1RAB9ASMN1; SMN2HPGDTP53
SCHEMBL137744 0.76 NPC1 (0.37) NPC1RAB9ASMN1; SMN2HPGDTP53
SCHEMBL25311795 0.73 NPC1 (0.38) NPC1RAB9ASMN1; SMN2HPGDTP53
SCHEMBL13110756 0.72 TNF (0.49) SMN1; SMN2KDM4E
SCHEMBL1202135 0.72 NPC1 (0.46) NPC1RAB9ASMN1; SMN2HPGDTP53
SCHEMBL14832663 0.71 POLB (0.40) MEN1KMT2APOLBKDM4E
SCHEMBL25310605 0.71 NPC1 (0.37) NPC1RAB9ASMN1; SMN2HPGDTP53
SCHEMBL19554501 0.71 NPC1 (0.43) NPC1RAB9ASMN1; SMN2HPGDTP53
SCHEMBL13110762 0.70 MEN1 (0.42) NPC1RAB9ASMN1; SMN2HPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2018-07-05 US disclosed
US-9957271-B2 Substituted bicyclic aza-heterocycles and analogues as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2018-05-01 US disclosed
US-20140349993-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2014-11-27 US 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 (2 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-20140349993-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 NPC1 3941/4885RAB9A 1062/4885SMN1; SMN2 2001/4885
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 NPC1 3941/4885RAB9A 1062/4885SMN1; SMN2 2001/4885

“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.