SCHEMBL4151093

SCHEMBL4151093

O=[N+]([O-])c1cc2c(/C=C/c3cccnc3)nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2cc1F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
NTSR1 P30989 2/20 0.36
RAB9A P51151 2/20 0.36
MAPT P10636 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35
NFE2L2 Q16236 1/20 0.33
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
RORC P51449 1/20 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
SCHEMBL4151097 1.00 VCP (0.37) VCPCYP11B1CYP11B2NTSR1RAB9A
SCHEMBL4152982 0.87 FBP1 (0.39) ALDH1A1MEN1KMT2AAURKAAURKB
SCHEMBL4152978 0.87 FBP1 (0.39) ALDH1A1MEN1KMT2AAURKAAURKB
SCHEMBL4140237 0.87 MEN1 (0.38) RAB9AMAPTALDH1A1MEN1KMT2A
SCHEMBL4140241 0.87 MEN1 (0.38) RAB9AMAPTALDH1A1MEN1KMT2A
SCHEMBL4145319 0.86 AURKA (0.34) RAB9AMAPTMEN1KMT2AAURKA
SCHEMBL4145317 0.86 AURKA (0.34) RAB9AMAPTMEN1KMT2AAURKA
SCHEMBL4146113 0.84 KMT2A (0.34) NTSR1RAB9AMAPTALDH1A1MEN1
SCHEMBL4146107 0.84 KMT2A (0.34) NTSR1RAB9AMAPTALDH1A1MEN1
SCHEMBL4140916 0.84 CYP11B1 (0.40) CYP11B1CYP11B2NTSR1RAB9AMAPT

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 VCP 4579/4885CYP11B1 124/4885CYP11B2 106/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B VCP 4694/4885CYP11B1 138/4885CYP11B2 121/4885

“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.