SCHEMBL19858653

SCHEMBL19858653

CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1C(=CC=O)NO

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 9/20 0.50
▸ PDK1 Q15118 1/20 0.46
▸ HDAC6 Q9UBN7 2/20 0.44
▸ HDAC11 Q96DB2 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ MTOR P42345 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TRPM8 Q7Z2W7 1/20 0.40

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
SCHEMBL19858651 1.00 TACR1 (0.50) TACR1PDK1HDAC6HDAC11HDAC8
SCHEMBL18046715 0.78 TACR1 (0.49) TACR1PDK1HDAC6HDAC11HDAC8
SCHEMBL18046712 0.78 TACR1 (0.49) TACR1PDK1HDAC6HDAC11HDAC8
SCHEMBL30498677 0.74 TACR1 (0.55) TACR1PDK1HDAC6HDAC11HDAC8
SCHEMBL6410982 0.71 HDAC6 (0.56) TACR1PDK1HDAC6MTORALDH1A1
SCHEMBL5740118 0.70 TACR1 (0.69) TACR1KMT2A
SCHEMBL29565828 0.69 TACR1 (0.53) TACR1PDK1HDAC6MTORKMT2A
SCHEMBL10547820 0.69 PDK1 (0.47) TACR1PDK1HDAC6ALDH1A1KMT2A
SCHEMBL21392795 0.68 TACR1 (0.52) TACR1PDK1HDAC6MTORALDH1A1
SCHEMBL24247623 0.68 HDAC6 (0.55) PDK1HDAC6HDAC11HDAC8ALDH1A1

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-20180044282-A1 ALPHA-CINNAMIDE COMPOUNDS AND COMPOSITIONS AS HDAC8 INHIBITORS VALO EARLY DISCOVERY, INC. 2018-02-15 — — US claimed

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-20180044282-A1 ALPHA-CINNAMIDE COMPOUNDS AND COMPOSITIONS AS HDAC8 INHIBITORS HDAC8, HDAC7, HDAC1 TACR1 4264/4885PDK1 1120/4885HDAC6 10/4885

“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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