SCHEMBL4139328

SCHEMBL4139328

NC(=O)CCOc1c(C(=O)O)ccc2[nH]nc(/C=C/c3ccc(F)cc3)c12

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.32
KDM4E B2RXH2 2/20 0.32
HTT P42858 1/20 0.32
ENPP2 Q13822 1/20 0.32
AURKA O14965 2/20 0.32
CHEK1 O14757 3/20 0.31
KDR P35968 3/20 0.31
KDM5A P29375 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
KDM5B Q9UGL1 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
BMPR1B O00238 1/20 0.30
PLK4 O00444 1/20 0.30
STK25 O00506 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
SCHEMBL4139333 1.00 TRPA1 (0.32) TRPA1KDM4EHTTENPP2AURKA
SCHEMBL4145302 0.89 CHEK1 (0.40) TRPA1ENPP2AURKACHEK1KDR
SCHEMBL4145298 0.89 CHEK1 (0.40) TRPA1ENPP2AURKACHEK1KDR
SCHEMBL4143861 0.88 CHEK1 (0.35) TRPA1KDM4EENPP2AURKACHEK1
SCHEMBL4143864 0.88 CHEK1 (0.35) TRPA1KDM4EENPP2AURKACHEK1
SCHEMBL4135959 0.88 LMNA (0.35) KDM4EHTTMEN1NPC1ALDH1A1
SCHEMBL4135965 0.88 LMNA (0.35) KDM4EHTTMEN1NPC1ALDH1A1
SCHEMBL4153253 0.86 LMNA (0.38) KDM4EKDRALDH1A1NTRK1DYRK1A
SCHEMBL4153260 0.86 LMNA (0.38) KDM4EKDRALDH1A1NTRK1DYRK1A
SCHEMBL6428486 0.85 SCN9A (0.33) JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US disclosed
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 EP 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B TRPA1 2083/4885KDM4E 2622/4885HTT 3425/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B TRPA1 1859/4885KDM4E 2795/4885HTT 3942/4885

“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.