SCHEMBL5288870

SCHEMBL5288870

CN(C)C(=O)C(N)Cc1ccc(Oc2ccc(CCC(=O)NO)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.43
FFAR1 O14842 3/20 0.43
HDAC8 Q9BY41 6/20 0.42
HDAC2 Q92769 4/20 0.42
HDAC6 Q9UBN7 4/20 0.42
BMP1 P13497 2/20 0.41
HDAC3 O15379 3/20 0.41
HDAC4 P56524 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
ALDH1A1 P00352 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
ESR1 P03372 1/20 0.40
NCOR2 Q9Y618 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
SCHEMBL14021732 1.00 HDAC1 (0.43) HDAC1FFAR1HDAC8HDAC2HDAC6
SCHEMBL14021639 1.00 HDAC1 (0.43) HDAC1FFAR1HDAC8HDAC2HDAC6
Hydrochloric Acid SCHEMBL4597025 0.99 HDAC1 (0.43) HDAC1FFAR1HDAC8HDAC2HDAC6
SCHEMBL14021763 0.89 HDAC2 (0.55) HDAC1HDAC8HDAC2HDAC6HDAC3
Hydrochloric Acid SCHEMBL4597153 0.88 HDAC2 (0.54) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL14021677 0.87 FFAR1 (0.57) FFAR1FFAR4
SCHEMBL14115836 0.87 FFAR1 (0.57) FFAR1FFAR4
SCHEMBL14115842 0.86 ADRB2 (0.44) FFAR1ALDH1A1FFAR4
SCHEMBL14021723 0.86 ADRB2 (0.44) FFAR1ALDH1A1FFAR4
SCHEMBL14115837 0.86 FFAR1 (0.46) FFAR1ALDH1A1FFAR4

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-20080175795-A1 Novel derivatives of amino acids for treatment of obesity and related disorders BEXEL PHARMACEUTICALS, INC. 2008-07-24 US disclosed
WO-2007005774-A9 NOVEL DERIVATIVES OF AMINO ACIDS FOR TREATMENT OF OBESITY AND RELATED DISORDERS BEXEL PHARMACEUTICALS INC (US) 2007-03-08 WO 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-20080175795-A1 Novel derivatives of amino acids for treatment of obesity and related disorders GPR119, AADAT, FABP4 HDAC1 3364/4885FFAR1 14/4885HDAC8 3261/4885

“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.