SCHEMBL13768045

SCHEMBL13768045

[N-]=[N+]=NC(=O)/C=C/c1cccc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 5/20 0.50
▸ MAOA P21397 1/20 0.47
▸ MAOB P27338 1/20 0.47
▸ PTGS1 P23219 2/20 0.45
▸ PTGS2 P35354 1/20 0.45
▸ CYP1A1 P04798 1/20 0.44
▸ CYP1B1 Q16678 1/20 0.44
▸ NQO2 P16083 1/20 0.44
▸ MMP1 P03956 2/20 0.44
▸ MMP2 P08253 2/20 0.44
▸ MMP9 P14780 2/20 0.44
▸ NPC1 O15118 4/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ STAT1 P42224 1/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43

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
SCHEMBL22094603 0.84 BACE1 (0.44) PTGS1PTGS2SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL14924400 0.82 MAOA (0.50) NFE2L2MAOAMAOBPTGS1PTGS2
SCHEMBL13730037 0.81 HSD11B1 (0.56) MAOAMAOBCYP1A1CYP1B1MMP1
SCHEMBL13730038 0.81 HSD11B1 (0.56) MAOAMAOBCYP1A1CYP1B1MMP1
SCHEMBL29910010 0.80 MAPT (0.53) MAOAMAOBCYP1A1CYP1B1MMP1
SCHEMBL13948724 0.80 MAPT (0.53) MAOAMAOBCYP1A1CYP1B1MMP1
SCHEMBL31308838 0.80 CYP1A1 (0.48) NFE2L2PTGS2CYP1A1CYP1B1CA12
SCHEMBL13489637 0.80 CYP1A1 (0.48) NFE2L2PTGS2CYP1A1CYP1B1CA12
SCHEMBL12946587 0.80 NFE2L2 (0.55) NFE2L2MAOAMAOBPTGS1PTGS2
SCHEMBL14924042 0.79 TRPV1 (0.42) MMP1MMP2MMP9SMN1; SMN2KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021779-A1 PROCESS FOR THE PREPARATION OF 6-SUBSTITUTED-1-(2H)-ISOQUINOLINONES SANOFI-AVENTIS (FR) 2011-01-27 — — US disclosed
WO-2009080335-A1 PROCESS FOR THE PREPARATION OF 6-SUBSTITUTED-1-(2H)-ISOQUINOLINONES SANOFI-AVENTIS (FR) 2009-07-02 — — WO 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-20110021779-A1 PROCESS FOR THE PREPARATION OF 6-SUBSTITUTED-1-(2H)-ISOQUINOLINONES CYP1B1, CYP1A1, NQO1 NFE2L2 230/4885MAOA 409/4885MAOB 296/4885

“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.

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