SCHEMBL631701

SCHEMBL631701

N[CH]Cc1c(C(N)=O)[nH]c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP2 P11137 2/20 0.53
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 4/20 0.47
FOLH1 Q04609 1/20 0.47
EGFR P00533 2/20 0.46
SRC P12931 1/20 0.46
HTR6 P50406 1/20 0.44
GAA P10253 2/20 0.42
MAPT P10636 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
MCL1 Q07820 1/20 0.42
PIM1 P11309 1/20 0.41
PIM3 Q86V86 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL2983431 0.86 MAP2 (0.51) MAP2KDM4EALDH1A1FOLH1EGFR
SCHEMBL4033965 0.85 MAP2 (0.50) MAP2KDM4EALDH1A1FOLH1EGFR
SCHEMBL3583092 0.82 MAP2 (0.48) MAP2KDM4EALDH1A1FOLH1EGFR
SCHEMBL4666069 0.82 MAP2 (0.48) MAP2KDM4EALDH1A1FOLH1EGFR
SCHEMBL5279031 0.82 MAP2 (0.57) MAP2KDM4EALDH1A1FOLH1EGFR
SCHEMBL28746390 0.81 MCL1 (0.57) MAP2KDM4EALDH1A1FOLH1EGFR
SCHEMBL4042667 0.80 MAP2 (0.46) MAP2KDM4EALDH1A1FOLH1EGFR
SCHEMBL5495499 0.79 HTR6 (0.66) MAP2KDM4EALDH1A1FOLH1EGFR
SCHEMBL4262908 0.79 KDM4E (0.62) MAP2KDM4EALDH1A1FOLH1EGFR
SCHEMBL7745979 0.78 KDM4E (0.57) MAP2KDM4EALDH1A1FOLH1EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778637-B1 FKBP-binding composition and pharmaceutical use thereof AVENTIS PHARMA INC (US) 2012-02-22 EP claimed
US-7777042-B2 N-sulfonylpipecolic acid derivative FKBP binding composition and pharmaceutical use thereof AVENTIS PHARMACEUTICALS INC. (US) 2010-08-17 US claimed
US-20080139556-A1 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2008-06-12 US claimed
EP-1778637-A2 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF Aventis Pharmaceuticals, Inc. (US) 2007-05-02 EP claimed
WO-2006012256-A2 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2006-02-02 WO claimed
US-7777042-B2 N-sulfonylpipecolic acid derivative FKBP binding composition and pharmaceutical use thereof AVENTIS PHARMACEUTICALS INC. (US) 2010-08-17 US disclosed
US-20080139556-A1 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2008-06-12 US disclosed
EP-1778637-A2 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF Aventis Pharmaceuticals, Inc. (US) 2007-05-02 EP disclosed
WO-2006012256-A2 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2006-02-02 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-20080139556-A1 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF FKBP1A, FKBP1B, FKBP3 MAP2 432/4885KDM4E 3895/4885ALDH1A1 3038/4885

“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.