SCHEMBL630177

SCHEMBL630177

NC(=O)c1cccc2[nH]c([CH]Cc3ccc(OCc4ccccc4)cc3)nc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 10/20 0.60
HDAC3 O15379 3/20 0.60
HDAC4 P56524 3/20 0.60
HDAC1 Q13547 3/20 0.60
HDAC7 Q8WUI4 3/20 0.60
HDAC2 Q92769 3/20 0.60
HDAC10 Q969S8 3/20 0.60
HDAC11 Q96DB2 3/20 0.60
HDAC8 Q9BY41 3/20 0.60
HDAC6 Q9UBN7 3/20 0.60
HDAC9 Q9UKV0 3/20 0.60
HDAC5 Q9UQL6 3/20 0.60
DHODH Q02127 5/20 0.56
CHEK2 O96017 1/20 0.48
SIRT2 Q8IXJ6 1/20 0.46
KDR P35968 1/20 0.46
PARP10 Q53GL7 1/20 0.45
PLA2G2A P14555 1/20 0.44
ALOX15 P16050 1/20 0.44
PTGS2 P35354 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
SCHEMBL630977 0.89 PARP1 (0.56) PARP1DHODHCHEK2
SCHEMBL10688649 0.77 DHODH (0.67) PARP1HDAC3HDAC4HDAC1HDAC7
SCHEMBL2982645 0.76 FAAH (0.47) PARP1HDAC3HDAC4HDAC1HDAC7
SCHEMBL30811244 0.74 PARP1 (0.83) PARP1HDAC3HDAC4HDAC1HDAC7
SCHEMBL29179972 0.74 PARP1 (0.83) PARP1HDAC3HDAC4HDAC1HDAC7
Phosphoric Acid SCHEMBL10686577 0.74 DHODH (0.62) PARP1HDAC3HDAC4HDAC1HDAC7
SCHEMBL6950091 0.72 DHODH (0.69) PARP1HDAC3HDAC4HDAC1HDAC7
SCHEMBL10686586 0.72 DHODH (0.52) PARP1HDAC3HDAC4HDAC1HDAC7
SCHEMBL505556 0.72 DHODH (1.00) PARP1HDAC3HDAC4HDAC1HDAC7
SCHEMBL10212043 0.71 DHODH (0.98) PARP1HDAC3HDAC4HDAC1HDAC7

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 6 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-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

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 PARP1 3364/4885HDAC3 1266/4885HDAC4 1994/4885

“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.