SCHEMBL16017609

SCHEMBL16017609

Nc1ccccc1NC(=O)c1ccc(CCNC(=O)c2cc3ccccc3[nH]2)cc1

nearest known ligand 0.81

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HDAC2 Q92769 7/20 0.81
▸ HDAC1 Q13547 6/20 0.69
▸ HDAC3 O15379 1/20 0.64
▸ KDM4E B2RXH2 2/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.52

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
SCHEMBL15685265 0.89 HDAC2 (1.00) HDAC2HDAC1HDAC3
SCHEMBL15654502 0.83 HDAC2 (0.74) HDAC2HDAC1HDAC3
SCHEMBL27891708 0.83 KDM4E (0.64) HDAC2HDAC1HDAC3KDM4EHSD17B10
Bromide SCHEMBL15653791 0.82 HDAC2 (0.72) HDAC2HDAC1HDAC3
SCHEMBL15685116 0.80 HDAC2 (1.00) HDAC2HDAC1HDAC3
SCHEMBL2135459 0.79 HDAC1 (0.65) HDAC2HDAC1HDAC3
SCHEMBL15685085 0.79 HDAC2 (0.82) HDAC2HDAC1HDAC3
SCHEMBL15685084 0.79 HDAC2 (1.00) HDAC2HDAC1HDAC3
SCHEMBL15933368 0.79 HDAC2 (1.00) HDAC2HDAC1HDAC3
SCHEMBL15685083 0.79 HDAC2 (0.80) HDAC2HDAC1HDAC3

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-20150374646-A1 TREATMENT OF CANCER AND OTHER CONDITIONS USING A TRANSCRIPTION FACTOR MODULATOR C & C BIOPHARMA LLC (US) 2015-12-31 — — US disclosed
US-20140256776-A1 TREATMENT OF CANCER AND OTHER CONDITIONS USING A TRANSCRIPTION FACTOR MODULATOR C&C BIOPHARMA, LLC 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 (2 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-20140256776-A1 TREATMENT OF CANCER AND OTHER CONDITIONS USING A TRANSCRIPTION FACTOR MODULATOR RELA, NCOA1, NCOA2 HDAC2 290/4885HDAC1 163/4885HDAC3 287/4885
US-20150374646-A1 TREATMENT OF CANCER AND OTHER CONDITIONS USING A TRANSCRIPTION FACTOR MODULATOR RELA, NCOA1, NCOA2 HDAC2 290/4885HDAC1 163/4885HDAC3 287/4885

“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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