SCHEMBL1164064

SCHEMBL1164064

Cc1ccc(-c2cn(CS(=O)(=O)NCc3ccc(C(=O)O)cc3)nn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.53
PTGS2 P35354 2/20 0.48
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
KMT2A Q03164 5/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
MEN1 O00255 4/20 0.44
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43

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
SCHEMBL3439453 0.90 KMT2A (0.54) SRCPTGS2NPC1RAB9AKMT2A
SCHEMBL1164953 0.90 HDAC1 (0.53) SRCPTGS2HDAC3HDAC4HDAC1
SCHEMBL1164921 0.81 HDAC6 (0.54) PTGS2KMT2AHDAC3HDAC4HDAC1
SCHEMBL2128338 0.80 SNCA (0.57) PTGS2NPC1RAB9AKMT2AHDAC3
SCHEMBL1165318 0.79 HDAC1 (0.53) PTGS2HDAC3HDAC4HDAC1HDAC7
SCHEMBL1165105 0.79 HDAC1 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2127878 0.73 HDAC1 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22276921 0.69 SRC (0.58) SRCNPC1RAB9AKMT2AHDAC3
SCHEMBL30148152 0.69 MEN1 (0.66) PTGS2NPC1RAB9AKMT2AHDAC3
SCHEMBL1164734 0.69 HDAC4 (0.44) PTGS2KMT2AHDAC3HDAC4HDAC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2451790-A1 HISTONE DEACETYLASE INHIBITORS Anthem Biosciences Private Limited (IN) 2012-05-16 EP disclosed
US-20120101099-A1 HISTONE DEACETYLASE INHIBITORS ANTHEM BIOSCIENCES PRIVATE LIMITED (IN) 2012-04-26 US disclosed
US-20120101099-A1 HISTONE DEACETYLASE INHIBITORS ANTHEM BIOSCIENCES PRIVATE LIMITED (IN) 2012-04-26 US disclosed
WO-2011021209-A1 HISTONE DEACETYLASE INHIBITORS PORTSMOUTH TECHNOLOGIES LLC (US) 2011-02-24 WO disclosed
WO-2011021209-A1 HISTONE DEACETYLASE INHIBITORS PORTSMOUTH TECHNOLOGIES LLC (US) 2011-02-24 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-20120101099-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC11 SRC 2986/4885PTGS2 3649/4885NPC1 1158/4885

“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.