SCHEMBL4154631

SCHEMBL4154631

Nc1cc2c(C=Cc3ccc(F)c(F)c3)nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2cc1F

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 2/20 0.35
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
PABPC1 P11940 1/20 0.32
RAB9A P51151 1/20 0.32
EIF4H Q15056 1/20 0.32
FLT3 P36888 3/20 0.31

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
SCHEMBL4154628 1.00 NFE2L2 (0.35) NFE2L2GRIN1GRIN2BPABPC1RAB9A
SCHEMBL4149708 0.90 NFE2L2 (0.37) NFE2L2GRIN1GRIN2BRAB9A
SCHEMBL4149703 0.90 NFE2L2 (0.37) NFE2L2GRIN1GRIN2BRAB9A
SCHEMBL4149270 0.88 NFE2L2 (0.42) NFE2L2RAB9A
SCHEMBL4149268 0.88 NFE2L2 (0.42) NFE2L2RAB9A
SCHEMBL4136234 0.88 TUBB1 (0.41) NFE2L2
SCHEMBL4151600 0.88 ACHE (0.37) NFE2L2
SCHEMBL4136238 0.88 TUBB1 (0.41) NFE2L2
SCHEMBL4151603 0.88 ACHE (0.37) NFE2L2
SCHEMBL4148738 0.85 CYP19A1 (0.41) 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 NFE2L2 434/4885GRIN1 581/4885GRIN2B 290/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B NFE2L2 413/4885GRIN1 478/4885GRIN2B 248/4885

“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.