SCHEMBL637610

SCHEMBL637610

COc1cccc(/C=C/c2nc3sccn3c(=O)c2I)c1OCC1CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 2/20 0.37
PKM P14618 2/20 0.36
LMNA P02545 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 2/20 0.34
NFE2L2 Q16236 2/20 0.34
MAPT P10636 3/20 0.33
KMT2A Q03164 2/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
PDE4B Q07343 1/20 0.33
TP53 P04637 1/20 0.33
EDNRA P25101 1/20 0.33

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
SCHEMBL637611 1.00 ACMSD (0.37) ACMSDPKMLMNACYP2D6CYP2C19
SCHEMBL2671141 0.89 GAA (0.32) KDM4EMAPTKMT2AHPGDMEN1
SCHEMBL2671145 0.89 GAA (0.32) KDM4EMAPTKMT2AHPGDMEN1
SCHEMBL636242 0.87 ACMSD (0.37) ACMSDPKMLMNACYP2D6CYP2C19
SCHEMBL636241 0.87 ACMSD (0.37) ACMSDPKMLMNACYP2D6CYP2C19
SCHEMBL637328 0.86 HCRTR1 (0.37) ACMSDPKMLMNACYP2D6CYP2C19
SCHEMBL4399942 0.86 PDE10A (0.35) ACMSDPKMLMNACYP2D6CYP2C19
SCHEMBL636539 0.86 PDE10A (0.35) ACMSDPKMLMNACYP2D6CYP2C19
SCHEMBL6032767 0.86 HCRTR1 (0.37) ACMSDPKMLMNACYP2D6CYP2C19
SCHEMBL13345822 0.86 ACMSD (0.36) ACMSDPKMLMNACYP2D6CYP2C19

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-20120108813-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS S.A. 2012-05-03 US claimed
US-8119647-B2 Fused pyrimidineone compounds as TRPV3 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2012-02-21 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-20120108813-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS TRPV3, TRPV1, TRPV4 ACMSD 2943/4885PKM 894/4885LMNA 2744/4885

“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.