SCHEMBL4146253

SCHEMBL4146253

COc1cc(/C=C/c2nn(C(N)=O)c3cc(F)[c]cc23)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.40
AMY1A P0DUB6 1/20 0.37
KDR P35968 1/20 0.37
NFE2L2 Q16236 3/20 0.35
CXCL12 P48061 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PTGS1 P23219 2/20 0.33
ACHE P22303 1/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
IKBKB O14920 1/20 0.33
CHUK O15111 1/20 0.33
IKBKG Q9Y6K9 1/20 0.33
TUBB1 Q9H4B7 2/20 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
SCHEMBL4146256 1.00 BACE1 (0.40) BACE1AMY1AKDRNFE2L2CXCL12
SCHEMBL4154470 0.92 TUBB1 (0.42) NFE2L2ALDH1A1KDM4EHPGDALOX15
SCHEMBL4154467 0.92 TUBB1 (0.42) NFE2L2ALDH1A1KDM4EHPGDALOX15
SCHEMBL4141011 0.88 NFE2L2 (0.33) NFE2L2CYP1A1PTGS2
SCHEMBL4141007 0.88 NFE2L2 (0.33) NFE2L2CYP1A1PTGS2
SCHEMBL4136578 0.83 ENPP2 (0.39) NFE2L2ALDH1A1KDM4EPTGS1NPSR1
SCHEMBL4136580 0.83 ENPP2 (0.39) NFE2L2ALDH1A1KDM4EPTGS1NPSR1
SCHEMBL4149158 0.81 RELA (0.35) ALDH1A1KDM4EHPGDSMN1; SMN2PTGS1
SCHEMBL4157693 0.81 NFE2L2 (0.39) NFE2L2ALDH1A1KDM4EPTGS1TUBB1
SCHEMBL4157698 0.81 NFE2L2 (0.39) NFE2L2ALDH1A1KDM4EPTGS1TUBB1

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 4 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-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 (1 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 BACE1 2322/4885AMY1A 3596/4885KDR 932/4885

“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.