SCHEMBL631077

SCHEMBL631077

NC(=O)NC(=O)[CH]Cc1c[nH]c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
ALDH1A1 P00352 4/20 0.50
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
LMNA P02545 3/20 0.48
KDM4E B2RXH2 2/20 0.48
TSHR P16473 2/20 0.48
BLM P54132 2/20 0.48
MPO P05164 2/20 0.48
PMP22 Q01453 1/20 0.48
HIF1A Q16665 1/20 0.48
HPGD P15428 1/20 0.48
MAPK8 P45983 1/20 0.47
CYP1A2 P05177 2/20 0.47
PKM P14618 1/20 0.47
CYP2C19 P33261 1/20 0.47
CYP3A4 P08684 2/20 0.46
AHR P35869 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
SCHEMBL2124899 0.84 MAPT (0.54) MAPTALDH1A1GAASMN1; SMN2MEN1
SCHEMBL6573798 0.83 MAPT (0.53) MAPTALDH1A1GAASMN1; SMN2MEN1
SCHEMBL18498486 0.79 MEN1 (0.59) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7613223 0.79 HDAC3 (0.48) ALDH1A1MEN1KMT2ALMNASLC6A2
SCHEMBL5441703 0.78 MAPT (0.49) MAPTALDH1A1GAASMN1; SMN2MEN1
SCHEMBL290807 0.77 GPR84 (0.53) MAPTALDH1A1GAASMN1; SMN2MEN1
SCHEMBL7621032 0.76 KMT2A (0.48) MAPTALDH1A1GAAKMT2ALMNA
SCHEMBL7614707 0.76 GFER (0.53) ALDH1A1MEN1KMT2ALMNATSHR
SCHEMBL630447 0.76 MAPT (0.47) MAPTALDH1A1GAASMN1; SMN2MEN1
SCHEMBL2992112 0.76 HTR1A (0.50) MAPTALDH1A1GAASMN1; SMN2MEN1

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 10 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
US-20060128613-A1 Melanocortin receptor ligands THE PROCTER & GAMBLE COMPANY 2006-06-15 US 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 (2 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-20060128613-A1 Melanocortin receptor ligands MC3R, MC4R, MC1R MAPT 3974/4885ALDH1A1 3554/4885GAA 4563/4885
US-20080139556-A1 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF FKBP1A, FKBP1B, FKBP3 MAPT 192/4885ALDH1A1 3038/4885GAA 2479/4885

“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.