SCHEMBL13837979

SCHEMBL13837979

Cc1nc(-c2cccc(C(=O)N3CCCN(c4ccc(C#N)cn4)CC3)c2)no1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.52
FASN P49327 7/20 0.47
RHOA P61586 1/20 0.46
PARP1 P09874 3/20 0.45
TNK1 Q13470 1/20 0.45
TIPARP Q7Z3E1 3/20 0.43
PANK3 Q9H999 1/20 0.42
HPGD P15428 1/20 0.42
GRM5 P41594 1/20 0.42
PARP2 Q9UGN5 1/20 0.42

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
SCHEMBL2225124 0.88 HDAC6 (0.50) CNR2FASNPARP1TNK1TIPARP
SCHEMBL13838118 0.86 RHOA (0.42) CNR2FASNRHOATIPARPGRM5
SCHEMBL13838133 0.85 CHRM1 (0.45) CNR2FASNRHOAPARP1PANK3
SCHEMBL13838111 0.84 GRM5 (0.49) FASNRHOAGRM5
SCHEMBL2226665 0.84 HDAC4 (0.52) CNR2FASNPARP1TNK1TIPARP
SCHEMBL13838109 0.83 GRM5 (0.46) RHOAPARP1GRM5PARP2
SCHEMBL13837954 0.83 RHOA (0.46) FASNRHOAPARP1GRM5
SCHEMBL13837888 0.83 GRM5 (0.46) CNR2FASNRHOAPARP1GRM5
SCHEMBL13838057 0.83 RHOA (0.46) FASNRHOAPARP1GRM5
SCHEMBL13838009 0.82 PDK1 (0.46) FASNRHOAGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8981084-B2 Oxadiazole HDAC inhibitors TEMPERO PHARMACEUTICALS, INC. (US) 2015-03-17 US disclosed
US-20120289495-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals Inc. 2012-11-15 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-20120289495-A1 COMPOUNDS AND METHODS XDH, CCNY, TOP2B CNR2 421/4885FASN 2462/4885RHOA 2312/4885

“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.