SCHEMBL6865397

SCHEMBL6865397

CNC(=O)CCc1ccc(CN)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 5/20 0.52
LOXL2 Q9Y4K0 1/20 0.47
FFAR1 O14842 1/20 0.47
HDAC1 Q13547 4/20 0.46
HDAC6 Q9UBN7 3/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC8 Q9BY41 3/20 0.44
HDAC3 O15379 2/20 0.44
NCOR2 Q9Y618 1/20 0.44
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
PCNA P12004 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 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
SCHEMBL14387746 0.90 HDAC1 (0.53) FFAR1HDAC1HDAC6HDAC2HDAC8
SCHEMBL28001015 0.89 TPSAB1 (0.54) TPSAB1LOXL2HDAC1HDAC6HDAC2
SCHEMBL22526771 0.87 TPSAB1 (0.53) TPSAB1LOXL2HDAC1HDAC6HDAC2
SCHEMBL6821715 0.85 GFER (0.48) FFAR1HDAC1HDAC6HDAC2HDAC8
SCHEMBL12507197 0.82 POLB (0.59) FFAR1HDAC1ALDH1A1POLBGAA
SCHEMBL13609517 0.82 HDAC2 (0.62) HDAC1HDAC2HDAC8ALDH1A1POLB
SCHEMBL31581014 0.81 PLA2G10 (0.50) FFAR1HDAC1HDAC6HDAC2HDAC8
SCHEMBL1128782 0.81 TAAR1 (0.52) FFAR1HDAC1HDAC6HDAC2HDAC8
SCHEMBL10094799 0.81 HDAC1 (0.70) FFAR1HDAC1HDAC6HDAC2HDAC8
SCHEMBL6241724 0.81 CYP1A2 (0.57) FFAR1HDAC1HDAC6HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053925-A1 Hydroxamate-Based Inhibitors of Deacetylases NOVARTIS AG 2011-03-03 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-20110053925-A1 Hydroxamate-Based Inhibitors of Deacetylases HDAC1, HDAC11, HDAC3 TPSAB1 1080/4885LOXL2 3243/4885FFAR1 874/4885

“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.