SCHEMBL3570802

SCHEMBL3570802

COC1CN(c2nccs2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
HRH3 Q9Y5N1 1/20 0.41
MEN1 O00255 2/20 0.38
KDM4C Q9H3R0 1/20 0.38
HPGD P15428 2/20 0.38
GRM5 P41594 1/20 0.38
GRM1 Q13255 1/20 0.38
HTT P42858 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
POLB P06746 2/20 0.37
APEX1 P27695 1/20 0.37
RECQL P46063 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CHI3L1 P36222 1/20 0.37
HSD17B10 Q99714 2/20 0.37
PIK3CD O00329 1/20 0.36
ALDH1A1 P00352 4/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL27866750 0.83 HRH3 (0.54) NPC1RAB9AHRH3MEN1HPGD
SCHEMBL13634396 0.81 NPC1 (0.42) NPC1RAB9AHRH3MEN1KDM4C
SCHEMBL28662898 0.79 NPC1 (0.40) NPC1RAB9AHRH3MEN1KDM4C
SCHEMBL19080603 0.76 HPGD (0.44) NPC1RAB9AHRH3MEN1KDM4C
SCHEMBL2640732 0.76 KDM4C (0.44) NPC1RAB9AHRH3MEN1KDM4C
SCHEMBL2857147 0.76 NPC1 (0.41) NPC1RAB9AHRH3MEN1KDM4C
SCHEMBL30461783 0.76 DPP4 (0.43) NPC1RAB9AMEN1KDM4CHPGD
SCHEMBL3160083 0.75 NPC1 (0.42) NPC1RAB9AHRH3MEN1KDM4C
SCHEMBL3160078 0.75 NPC1 (0.42) NPC1RAB9AHRH3MEN1KDM4C
Hydrochloric Acid SCHEMBL972812 0.74 NPC1 (0.41) NPC1RAB9AHRH3MEN1KDM4C

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-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 NPC1 4245/4885RAB9A 4401/4885HRH3 338/4885

“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.