SCHEMBL4151593

SCHEMBL4151593

O=C(O)c1ccc2c(c(C=Cc3cccc(F)c3)nn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
STAT1 P42224 1/20 0.39
BCL2L1 Q07817 1/20 0.38
BAD Q92934 1/20 0.38
POLB P06746 1/20 0.36
CYP1A1 P04798 1/20 0.35
CYP1B1 Q16678 1/20 0.35
PTGS1 P23219 2/20 0.34
PTGS2 P35354 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NQO2 P16083 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
PARP1 P09874 1/20 0.33

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
SCHEMBL4151590 1.00 NFE2L2 (0.39) NFE2L2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4146358 0.88 NFE2L2 (0.38) NFE2L2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4146353 0.88 NFE2L2 (0.38) NFE2L2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4139751 0.85 NFE2L2 (0.42) NFE2L2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4139754 0.85 NFE2L2 (0.42) NFE2L2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13927700 0.82 NFE2L2 (0.40) NFE2L2ALDH1A1BCL2L1BADPOLB
SCHEMBL4144640 0.82 NFE2L2 (0.39) NFE2L2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4144638 0.82 NFE2L2 (0.39) NFE2L2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4144001 0.80 ELANE (0.36) NFE2L2NPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL4143996 0.80 ELANE (0.36) NFE2L2NPC1SMN1; SMN2ALDH1A1KDM4E

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 434/4885NPC1 3183/4885RAB9A 1606/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B NFE2L2 413/4885NPC1 3703/4885RAB9A 1726/4885

“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.