SCHEMBL4100584

SCHEMBL4100584

O=c1c2ncn(CC(F)(F)F)c2nc(Cl)n1-c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.51
HIF1A Q16665 1/20 0.39
ALDH1A1 P00352 2/20 0.37
XDH P47989 1/20 0.35
TSHR P16473 2/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
CYP17A1 P05093 1/20 0.34
LMNA P02545 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAT2A P31153 1/20 0.34
TRPA1 O75762 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
SCHEMBL1993358 0.86 CNR1 (0.43) CNR1HIF1AALDH1A1XDHTSHR
SCHEMBL4099269 0.83 CNR1 (0.48) CNR1HIF1AALDH1A1XDHCYP17A1
SCHEMBL4512837 0.83 CNR1 (0.46) CNR1HIF1AALDH1A1XDHTSHR
SCHEMBL4524872 0.82 CNR1 (0.45) CNR1HIF1AALDH1A1XDHTSHR
SCHEMBL4522018 0.82 CNR1 (0.46) CNR1HIF1AALDH1A1TSHRNPC1
SCHEMBL4531198 0.81 CNR1 (0.43) CNR1HIF1AALDH1A1TSHRNPC1
SCHEMBL4514911 0.81 CNR1 (0.46) CNR1HIF1AALDH1A1TSHRGAA
SCHEMBL4519841 0.80 CNR1 (0.43) CNR1HIF1AALDH1A1TSHRNPC1
SCHEMBL2233449 0.79 MAT2A (0.42) ALDH1A1TSHRNPC1GAAPKM
SCHEMBL1997653 0.77 CDK1 (0.41) XDHNPC1

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-20090233947-A1 2,3-Substituted fused bicyclic pyrimidin-4(3H)-ones which modulating the function of the vanilloid -1 receptor (VR1) MERCK SHARP & DOHME LTD. (GB) 2009-09-17 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-20090233947-A1 2,3-Substituted fused bicyclic pyrimidin-4(3H)-ones which modulating the function of the vanilloid -1 receptor (VR1) TRPV1, TRPV2, TRPV3 CNR1 30/4885HIF1A 644/4885ALDH1A1 832/4885

“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.