SCHEMBL4145350

SCHEMBL4145350

O=C(O)c1ccc2[nH]nc(/C=C/c3ccc(F)cc3)c2c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 6/20 0.39
TRPA1 O75762 1/20 0.39
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
CHEK1 O14757 2/20 0.37
KDR P35968 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTPN2 P17706 2/20 0.36
PTPN1 P18031 2/20 0.36
PTPN6 P29350 2/20 0.36
CYP1B1 Q16678 1/20 0.36
HSD11B1 P28845 1/20 0.36
ALOX5 P09917 1/20 0.35

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
SCHEMBL4145355 1.00 PIM1 (0.39) PIM1TRPA1MAOAMAOBCHEK1
SCHEMBL4137389 0.83 NFE2L2 (0.38) TRPA1CHEK1KDRKDM4EMEN1
SCHEMBL4137384 0.83 NFE2L2 (0.38) TRPA1CHEK1KDRKDM4EMEN1
SCHEMBL4149287 0.83 LMNA (0.41) MAOAMAOBKDM4EMEN1NPC1
SCHEMBL4149281 0.83 LMNA (0.41) MAOAMAOBKDM4EMEN1NPC1
SCHEMBL4156715 0.82 LMNA (0.43) KDRKDM4EALDH1A1KMT2A
SCHEMBL4156710 0.82 LMNA (0.43) KDRKDM4EALDH1A1KMT2A
SCHEMBL4145298 0.80 CHEK1 (0.40) TRPA1CHEK1KDRBCL2L1BAD
SCHEMBL4145302 0.80 CHEK1 (0.40) TRPA1CHEK1KDRBCL2L1BAD
SCHEMBL5032386 0.80 LMNA (0.35) MAOAMAOBCHEK1KDRMEN1

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 8 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-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 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
CN-1656079-A Pyrazole compounds and pharmaceutical compositions containing the same EISAI CO LTD (JP) 2005-08-17 CN 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 PIM1 1645/4885TRPA1 2083/4885MAOA 2221/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B PIM1 1528/4885TRPA1 1859/4885MAOA 2624/4885

“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.