SCHEMBL4153487

SCHEMBL4153487

O=C(O)c1cc2c(C=Cc3ccc4ccccc4c3)nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2cc1F

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.36
PIM1 P11309 1/20 0.34
DHODH Q02127 1/20 0.34
PTGS1 P23219 1/20 0.33
PPARA Q07869 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PTPN1 P18031 1/20 0.32
HNF4A P41235 1/20 0.32

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
SCHEMBL4153483 1.00 RELA (0.36) RELAPIM1DHODHPTGS1PPARA
SCHEMBL4144638 0.87 NFE2L2 (0.39) PTGS1NPC1RAB9AKDM4EALDH1A1
SCHEMBL4144640 0.87 NFE2L2 (0.39) PTGS1NPC1RAB9AKDM4EALDH1A1
SCHEMBL13927686 0.84 RELA (0.39) RELAPIM1DHODHPTGS1PPARA
SCHEMBL4140496 0.83 NTSR1 (0.40) PTGS1MEN1KMT2ANPC1RAB9A
SCHEMBL4140501 0.83 NTSR1 (0.40) PTGS1MEN1KMT2ANPC1RAB9A
SCHEMBL4144882 0.81 LMNA (0.35) RELAMEN1KMT2ANPC1RAB9A
SCHEMBL4144879 0.81 LMNA (0.35) RELAMEN1KMT2ANPC1RAB9A
SCHEMBL4145166 0.81 TRPV1 (0.36) RELADHODHPTGS1PPARAPTPN1
SCHEMBL4154628 0.74 NFE2L2 (0.35) RAB9A

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 RELA 867/4885PIM1 1645/4885DHODH 4284/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B RELA 813/4885PIM1 1528/4885DHODH 4347/4885

“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.