SCHEMBL16016602

SCHEMBL16016602

Nc1ccccc1NC(=O)CCCCCC(=O)Nc1cccc(-c2ccccc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 1.00
HDAC6 Q9UBN7 11/20 1.00
HDAC3 O15379 14/20 0.78
HDAC2 Q92769 11/20 0.78
HDAC4 P56524 9/20 0.78
HDAC10 Q969S8 9/20 0.78
HDAC7 Q8WUI4 7/20 0.78
HDAC11 Q96DB2 7/20 0.78
HDAC8 Q9BY41 7/20 0.78
HDAC9 Q9UKV0 7/20 0.78
HDAC5 Q9UQL6 7/20 0.78
NCOR2 Q9Y618 5/20 0.78

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
SCHEMBL16016626 0.92 HDAC1 (0.84) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL31635257 0.91 HDAC4 (0.85) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL6038216 0.90 HDAC1 (0.82) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL16016612 0.88 HDAC1 (0.84) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL675185 0.88 HDAC1 (1.00) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL1063954 0.88 HDAC1 (1.00) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL29921577 0.88 HDAC1 (1.00) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL30029834 0.88 HDAC1 (1.00) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL16016657 0.87 HDAC1 (0.77) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL13363466 0.87 HDAC4 (0.79) HDAC1HDAC6HDAC3HDAC2HDAC4

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 4 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-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
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 HDAC1 163/4885HDAC6 427/4885HDAC3 287/4885
US-20150374646-A1 TREATMENT OF CANCER AND OTHER CONDITIONS USING A TRANSCRIPTION FACTOR MODULATOR RELA, NCOA1, NCOA2 HDAC1 163/4885HDAC6 427/4885HDAC3 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.