SCHEMBL4158795

SCHEMBL4158795

O=C(O)Nc1cc2c(C=Cc3cccc(F)c3)nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.37
EGFR P00533 1/20 0.36
MAOB P27338 1/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
STAT1 P42224 1/20 0.35
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
PARP1 P09874 1/20 0.34
TUBA3C P0DPH7 1/20 0.34

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
SCHEMBL4158790 1.00 NFE2L2 (0.37) NFE2L2EGFRMAOBNPC1RAB9A
SCHEMBL4150603 0.89 RXFP1 (0.35) NFE2L2EGFRMAOBNPC1RAB9A
SCHEMBL4150612 0.89 RXFP1 (0.35) NFE2L2EGFRMAOBNPC1RAB9A
SCHEMBL4144640 0.85 NFE2L2 (0.39) NFE2L2MAOBNPC1RAB9AMAPT
SCHEMBL4144638 0.85 NFE2L2 (0.39) NFE2L2MAOBNPC1RAB9AMAPT
SCHEMBL4149268 0.82 NFE2L2 (0.42) NFE2L2NPC1RAB9AMAPTKDM4E
SCHEMBL4149270 0.82 NFE2L2 (0.42) NFE2L2NPC1RAB9AMAPTKDM4E
SCHEMBL5032336 0.81 KDM4E (0.40) EGFRRAB9AMAPTKDM4EALDH1A1
SCHEMBL5032332 0.81 KDM4E (0.40) EGFRRAB9AMAPTKDM4EALDH1A1
SCHEMBL4152982 0.80 FBP1 (0.39) NFE2L2ALDH1A1KMT2AMEN1POLB

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 NFE2L2 434/4885EGFR 837/4885MAOB 1861/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B NFE2L2 413/4885EGFR 991/4885MAOB 2177/4885

“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.