SCHEMBL630339

SCHEMBL630339

CN(C)c1ccc(NC(=O)[CH]Cc2ccc(OC(N)=O)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.47
ALDH1A1 P00352 7/20 0.47
KDM4E B2RXH2 4/20 0.47
KMT2A Q03164 3/20 0.47
GFER P55789 2/20 0.47
MEN1 O00255 2/20 0.47
THRB P10828 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SMN1; SMN2 Q16637 6/20 0.46
RAB9A P51151 5/20 0.46
TP53 P04637 4/20 0.46
NPC1 O15118 4/20 0.46
NOX1 Q9Y5S8 2/20 0.46
ESR2 Q92731 1/20 0.46
NR4A1 P22736 1/20 0.46
MCL1 Q07820 3/20 0.44
HSD17B10 Q99714 2/20 0.44
LMNA P02545 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44

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
SCHEMBL631406 0.80 NR4A1 (0.45) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL630623 0.77 MAPT (0.52) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL9645558 0.77 ALDH1A1 (0.49) MAPTALDH1A1KDM4EKMT2AGFER
SCHEMBL5171523 0.73 CNR1 (0.39) MAPTALDH1A1KDM4EKMT2AGFER
SCHEMBL630443 0.71 ELANE (0.37) MAPTALDH1A1KMT2AMEN1THRB
SCHEMBL630245 0.70 RAB9A (0.47) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL5172935 0.70 ALDH1A1 (0.53) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL5843937 0.68 CTSK (0.38) ALDH1A1RAB9ANPC1CA12CA1
SCHEMBL631095 0.68 ALDH1A1 (0.51) MAPTALDH1A1KMT2AMEN1TDP1
SCHEMBL14645413 0.67 KMT2A (0.75) MAPTALDH1A1KDM4EKMT2AMEN1

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 MAPT 192/4885ALDH1A1 3038/4885KDM4E 3895/4885

“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.