SCHEMBL16010923

SCHEMBL16010923

CC(C)(C)OC(=O)Nc1ccncc1NC(=O)CCCCCC(=O)Nc1cccc(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 10/20 0.47
▸ HDAC1 Q13547 8/20 0.47
▸ HDAC2 Q92769 8/20 0.47
▸ HDAC8 Q9BY41 8/20 0.47
▸ HDAC10 Q969S8 7/20 0.47
▸ HDAC6 Q9UBN7 5/20 0.46
▸ NCOR2 Q9Y618 3/20 0.46
▸ HDAC4 P56524 4/20 0.45
▸ HDAC11 Q96DB2 4/20 0.44
▸ HDAC7 Q8WUI4 3/20 0.44
▸ HDAC9 Q9UKV0 3/20 0.44
▸ HDAC5 Q9UQL6 3/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ EGFR P00533 2/20 0.44
▸ RAF1 P04049 1/20 0.44
▸ KDR P35968 1/20 0.44
▸ MAP2K2 P36507 1/20 0.44
▸ MAP2K1 Q02750 1/20 0.44
▸ AURKB Q96GD4 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
SCHEMBL17153933 0.81 EGFR (0.57) HDAC3HDAC1HDAC2HDAC8HDAC10
SCHEMBL31203371 0.79 CA1 (0.64) HDAC3HDAC1HDAC2HDAC8HDAC10
SCHEMBL16010939 0.79 HDAC4 (0.62) HDAC3HDAC1HDAC2HDAC8HDAC10
SCHEMBL16023753 0.77 HDAC4 (0.64) HDAC3HDAC1HDAC2HDAC8HDAC10
SCHEMBL17154003 0.77 HDAC4 (0.51) HDAC3HDAC1HDAC2HDAC8HDAC10
SCHEMBL18522430 0.76 NAMPT (0.50) —
SCHEMBL17153936 0.75 AAK1 (0.58) HDAC3HDAC1HDAC2HDAC8HDAC10
SCHEMBL27200474 0.75 TERT (0.44) CYP3A4
SCHEMBL1400198 0.75 GAA (0.55) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL29895464 0.75 GAA (0.55) HDAC3HDAC1HDAC2HDAC8HDAC6

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-2994122-A1 NOVEL TRANSCRIPTION FACTOR MODULATORS C & C Biopharma, LLC (US) 2016-03-16 — — EP disclosed
US-9133105-B2 Transcription factor modulators C&C BIOPHARMA, LLC (US) 2015-09-15 — — US disclosed
US-9133105-B2 Transcription factor modulators C&C BIOPHARMA, LLC (US) 2015-09-15 — — US disclosed
US-9133105-B2 Transcription factor modulators C&C BIOPHARMA, LLC (US) 2015-09-15 — — US disclosed
WO-2014138508-A1 NOVEL TRANSCRIPTION FACTOR MODULATORS C & C BIOPHARMA, LLC (US) 2014-09-12 — — WO disclosed
WO-2014138508-A1 NOVEL TRANSCRIPTION FACTOR MODULATORS C & C BIOPHARMA, LLC (US) 2014-09-12 — — WO disclosed
US-20140256775-A1 NOVEL TRANSCRIPTION FACTOR MODULATORS C & C BIOPHARMA LLC (US) 2014-09-11 — — US disclosed
US-20140256775-A1 NOVEL TRANSCRIPTION FACTOR MODULATORS C & C BIOPHARMA LLC (US) 2014-09-11 — — US disclosed
US-20140256775-A1 NOVEL TRANSCRIPTION FACTOR MODULATORS C & C BIOPHARMA LLC (US) 2014-09-11 — — 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-20140256775-A1 NOVEL TRANSCRIPTION FACTOR MODULATORS RELA, CBFB, CREBBP HDAC3 206/4885HDAC1 180/4885HDAC2 228/4885

“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.

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