SCHEMBL630666

SCHEMBL630666

N[CH]Cc1ccccc1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.47
MAPT P10636 3/20 0.47
TSHR P16473 2/20 0.47
HSD17B10 Q99714 2/20 0.47
METAP2 P50579 1/20 0.44
BCAT2 O15382 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.40
ADRA1D P25100 2/20 0.39
GAA P10253 1/20 0.39
CTNNB1 P35222 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
NPC1 O15118 2/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
RAB9A P51151 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38

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
SCHEMBL4553805 0.85 KDM4E (0.44) KDM4EALDH1A1HPGDMAPTTSHR
SCHEMBL8930563 0.84 KDM4E (0.47) KDM4EALDH1A1HPGDMAPTTSHR
SCHEMBL83923 0.82 KDM4E (0.50) KDM4EALDH1A1HPGDMAPTTSHR
SCHEMBL630127 0.82 KDM4E (0.45) KDM4EALDH1A1HPGDMAPTTSHR
SCHEMBL6336723 0.82 KDM4E (0.45) KDM4EALDH1A1HPGDMAPTTSHR
SCHEMBL176890 0.81 BCAT2 (0.44) KDM4EALDH1A1HPGDMAPTTSHR
SCHEMBL6924561 0.81 ALDH1A1 (0.44) KDM4EALDH1A1HPGDMAPTTSHR
SCHEMBL3593547 0.81 KDM4E (0.44) KDM4EALDH1A1HPGDMAPTTSHR
Ammonia Solution, Strong SCHEMBL4442413 0.81 KDM4E (0.49) KDM4EALDH1A1HPGDMAPTTSHR
SCHEMBL7197046 0.81 KDM4E (0.44) KDM4EALDH1A1HPGDMAPTTSHR

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 KDM4E 3895/4885ALDH1A1 3038/4885HPGD 2746/4885

“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.