SCHEMBL4140638

SCHEMBL4140638

NC(=O)C(c1cccs1)n1nc(/C=C/c2cccc(F)c2)c2c(F)c(C(=O)O)ccc21

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.32
BCL2L1 Q07817 1/20 0.32
BAD Q92934 1/20 0.32
NFE2L2 Q16236 2/20 0.31
ABL1 P00519 1/20 0.30

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
SCHEMBL4346820 0.82 PTGER1 (0.40)
SCHEMBL6426258 0.80 RECQL (0.31) NFE2L2
SCHEMBL13927700 0.76 NFE2L2 (0.40) POLBBCL2L1BADNFE2L2
SCHEMBL4329361 0.74 CYP1A2 (0.37) RAB9AABL1
SCHEMBL4140641 0.74 RAB9A (0.41) NPC1RAB9ASMN1; SMN2POLB
SCHEMBL4335926 0.73 IKBKB (0.35)
SCHEMBL4341027 0.72 KDM4E (0.40) NPC1RAB9ASMN1; SMN2POLB
SCHEMBL4151593 0.72 NFE2L2 (0.39) NPC1RAB9ASMN1; SMN2POLBBCL2L1
SCHEMBL4151590 0.72 NFE2L2 (0.39) NPC1RAB9ASMN1; SMN2POLBBCL2L1
SCHEMBL4331950 0.69 CTSA (0.37)

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 NPC1 3183/4885RAB9A 1606/4885SMN1; SMN2 3886/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B NPC1 3703/4885RAB9A 1726/4885SMN1; SMN2 3772/4885

“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.