SCHEMBL4152982

SCHEMBL4152982

O=[N+]([O-])c1cc2c(C=Cc3cccc(F)c3)nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 3/20 0.39
NFE2L2 Q16236 7/20 0.38
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
GFER P55789 1/20 0.36
KMT2A Q03164 1/20 0.36
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
PARP1 P09874 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34
TUBA3E Q6PEY2 1/20 0.34
TUBA1A Q71U36 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
SCHEMBL4152978 1.00 FBP1 (0.39) FBP1NFE2L2MEN1POLBGFER
SCHEMBL4140237 0.90 MEN1 (0.38) FBP1NFE2L2MEN1KMT2AAURKA
SCHEMBL4140241 0.90 MEN1 (0.38) FBP1NFE2L2MEN1KMT2AAURKA
SCHEMBL4145317 0.89 AURKA (0.34) NFE2L2MEN1KMT2AAURKAAURKB
SCHEMBL4145319 0.89 AURKA (0.34) NFE2L2MEN1KMT2AAURKAAURKB
SCHEMBL4151097 0.87 VCP (0.37) NFE2L2MEN1KMT2AAURKAAURKB
SCHEMBL4151093 0.87 VCP (0.37) NFE2L2MEN1KMT2AAURKAAURKB
SCHEMBL4146107 0.85 KMT2A (0.34) NFE2L2MEN1POLBKMT2AAURKA
SCHEMBL4146113 0.85 KMT2A (0.34) NFE2L2MEN1POLBKMT2AAURKA
SCHEMBL4151638 0.84 CYP19A1 (0.41) MEN1POLBKMT2ATUBB4ATUBB

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 6 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
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 FBP1 2363/4885NFE2L2 434/4885MEN1 4415/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B FBP1 2804/4885NFE2L2 413/4885MEN1 4470/4885

“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.