SCHEMBL3040416

SCHEMBL3040416

Oc1nccc2sc(-c3cnc4ccccc4n3)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.46
RAB9A P51151 7/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPK10 P53779 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
HSD17B10 Q99714 1/20 0.46
BCHE P06276 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
ALOX12 P18054 1/20 0.41
ATM Q13315 1/20 0.41
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
CYP1A2 P05177 1/20 0.37

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
SCHEMBL5537255 0.79 KDM4E (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL25462036 0.69 NPC1 (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK10
SCHEMBL5545113 0.67 LTA4H (0.33) ADORA2AADORA1
SCHEMBL29966674 0.66 NPC1 (0.63) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK10
SCHEMBL3076524 0.66 NPC1 (0.63) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK10
SCHEMBL29614829 0.66 NPC1 (0.63) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK10
SCHEMBL29942654 0.66 NPC1 (0.63) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK10
SCHEMBL25461938 0.66 NPC1 (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK10
SCHEMBL7865783 0.65 NPC1 (0.57) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK10
SCHEMBL25461982 0.65 NPC1 (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216789-A1 RHO-KINASE INHIBITORS NAGARATHNAM DHANAPALAN 2010-08-26 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 (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-20100216789-A1 RHO-KINASE INHIBITORS CIT, ROCK1, ROCK2 NPC1 2963/4885RAB9A 391/4885SMN1; SMN2 3619/4885

“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.