SCHEMBL630623

SCHEMBL630623

NC(=O)Oc1ccc(C[CH]C(=O)Nc2ccc(N3CCOCC3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.52
LMNA P02545 2/20 0.52
KDM4E B2RXH2 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MAPK1 P28482 1/20 0.46
POLB P06746 2/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL631402 0.83 HDAC8 (0.50) MAPTLMNAKDM4EALDH1A1MEN1
SCHEMBL631175 0.81 ALDH1A1 (0.47) MAPTLMNAKDM4EL3MBTL1ALDH1A1
SCHEMBL3914229 0.80 AKR1C3 (0.51) MAPTLMNAKDM4EALDH1A1GAA
SCHEMBL6164707 0.77 CYP1A2 (0.45) MAPTLMNAKDM4EALDH1A1MEN1
SCHEMBL630339 0.77 MAPT (0.47) MAPTLMNAKDM4EALDH1A1GAA
SCHEMBL27922475 0.76 KDM4E (0.52) MAPTKDM4EL3MBTL1ALDH1A1GAA
SCHEMBL631367 0.74 EPHX2 (0.34) KDM4EMEN1KMT2ASMN1; SMN2NPC1
Bicarbonate SCHEMBL3549893 0.74 MAPT (0.60) MAPTLMNAKDM4EALDH1A1GAA
SCHEMBL1592539 0.73 MAPT (0.58) MAPTLMNAKDM4EALDH1A1GAA
SCHEMBL28786813 0.72 MAPT (0.65) MAPTLMNAKDM4EALDH1A1GAA

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 192/4885LMNA 3463/4885KDM4E 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.