SCHEMBL245671

SCHEMBL245671

Cc1nc(N)sc1C(=O)NCc1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.62
SCD O00767 8/20 0.60
POLB P06746 3/20 0.58
GAA P10253 2/20 0.58
UBE2N P61088 1/20 0.58
HSD17B10 Q99714 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
HPGD P15428 3/20 0.58
ALDH1A1 P00352 2/20 0.58
TSHR P16473 2/20 0.55
ALOX15 P16050 1/20 0.55
DUSP3 P51452 1/20 0.55
RAB9A P51151 1/20 0.54
RECQL P46063 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL245193 0.86 SCD (0.58) CHRM4SCDPOLBGAAHSD17B10
SCHEMBL244826 0.86 SCD (0.64) CHRM4SCDALDH1A1RAB9A
SCHEMBL12725843 0.83 CYP1A2 (0.72) CHRM4SCDPOLBGAACYP1A2
SCHEMBL13082000 0.81 NPC1 (0.64) CHRM4SCDHPGDALDH1A1RAB9A
SCHEMBL13082534 0.80 CHRM4 (0.62) CHRM4SCDALDH1A1RAB9AKMT2A
SCHEMBL3042709 0.79 CHRM4 (0.57) CHRM4SCDALDH1A1RAB9AKMT2A
SCHEMBL3575995 0.79 CHRM4 (0.61) CHRM4SCDGAAHPGDALDH1A1
SCHEMBL14184654 0.78 MEN1 (0.56) CHRM4SCDPOLBHPGDALDH1A1
SCHEMBL12464577 0.78 SCD (0.51) CHRM4SCDPOLBHPGDALDH1A1
SCHEMBL12195636 0.78 TSHR (0.62) CHRM4POLBGAAHSD17B10CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293768-B2 Organic compounds NOVARTIS AG (CH) 2012-10-23 US disclosed
US-20120004164-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2012-01-05 US disclosed
US-8063084-B2 Heterocyclic compounds suitable for the treatment of diseases related to elevated lipid levels NOVARTIS AG (CH) 2011-11-22 US disclosed
US-20100233116-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2010-09-16 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-20100233116-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 CHRM4 3687/4885SCD 1/4885POLB 2057/4885
US-20120004164-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 CHRM4 3011/4885SCD 1/4885POLB 2337/4885

“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.