SCHEMBL1496885

SCHEMBL1496885

CN(C)CCN(Cc1ccc(C(=O)Nc2cscc2NC(=O)OC(C)(C)C)cc1)C(=O)NC1=COC=C(C2=CC=CCC2)O1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC3 O15379 1/20 0.33
HDAC2 Q92769 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
ROCK1 Q13464 1/20 0.30
ROCK2 O75116 1/20 0.30

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
SCHEMBL3829607 0.94 HDAC1 (0.38) HDAC1HDAC6HDAC3HDAC2NCOR2
SCHEMBL1482181 0.92 ROCK2 (0.31) ROCK1ROCK2
SCHEMBL3834334 0.90 HDAC1 (0.43) HDAC1HDAC6HDAC3HDAC2NCOR2
SCHEMBL10476401 0.88 HDAC1 (0.33) HDAC1HDAC6
SCHEMBL11898574 0.88 TSHR (0.36) ROCK2
SCHEMBL3227901 0.87 ROCK1 (0.34) HDAC1HDAC6ROCK1ROCK2
SCHEMBL3835238 0.86 HDAC1 (0.35) HDAC1HDAC6HDAC3HDAC2NCOR2
SCHEMBL3232709 0.86 HDAC1 (0.35) HDAC1HDAC6HDAC3HDAC2NCOR2
SCHEMBL3830936 0.85 HDAC1 (0.38) HDAC1HDAC6HDAC3HDAC2NCOR2
SCHEMBL3832864 0.85 HDAC1 (0.37) HDAC1HDAC6HDAC3HDAC2NCOR2

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-20120202808-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-08-09 US disclosed
EP-2292611-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2011-03-09 EP 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-20120202808-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE CBR1, NAT1, PRMT1 HDAC1 893/4885HDAC6 3122/4885HDAC3 1037/4885

“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.