SCHEMBL2823943

SCHEMBL2823943

CCOC(=O)c1c(/C=C/c2cccc(OC(F)F)c2OC2CCCC2)nc2sccn12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.42
PDE4A P27815 5/20 0.34
PDE4B Q07343 5/20 0.34
PDE4C Q08493 5/20 0.34
PDE4D Q08499 5/20 0.34
ALDH1A1 P00352 4/20 0.33
TP53 P04637 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HTT P42858 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
RECQL P46063 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TSHR P16473 2/20 0.31
HCRTR1 O43613 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
RAB9A P51151 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL2823947 1.00 MAPK1 (0.42) MAPK1PDE4APDE4BPDE4CPDE4D
SCHEMBL2822307 0.91 MAPK1 (0.45) MAPK1PDE4BALDH1A1TP53HTT
SCHEMBL2822310 0.91 MAPK1 (0.45) MAPK1PDE4BALDH1A1TP53HTT
SCHEMBL2828237 0.89 PDE4A (0.33) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL2828239 0.89 PDE4A (0.33) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL13345578 0.88 KDM4E (0.32) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL2823789 0.88 MAPK1 (0.41) MAPK1PDE4APDE4BPDE4CPDE4D
SCHEMBL2823792 0.88 MAPK1 (0.41) MAPK1PDE4APDE4BPDE4CPDE4D
SCHEMBL2822485 0.87 MAPK1 (0.44) MAPK1PDE4APDE4BPDE4CPDE4D
SCHEMBL2822488 0.87 MAPK1 (0.44) MAPK1PDE4APDE4BPDE4CPDE4D

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-8318928-B2 Fused imidazole carboxamides as TRPV3 modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2012-11-27 US disclosed
US-20100152192-A1 FUSED IMIDAZOLE CARBOXAMIDES AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS S.A (CH) 2010-06-17 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-20100152192-A1 FUSED IMIDAZOLE CARBOXAMIDES AS TRPV3 MODULATORS TRPV3, TRPV1, TRPV2 MAPK1 2141/4885PDE4A 1119/4885PDE4B 1985/4885

“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.