SCHEMBL1711045

SCHEMBL1711045

O=C(/C=C/c1ccccc1)NC(Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 14/20 0.66
HDAC4 P56524 14/20 0.66
HDAC1 Q13547 14/20 0.66
HDAC7 Q8WUI4 14/20 0.66
HDAC2 Q92769 14/20 0.66
HDAC10 Q969S8 14/20 0.66
HDAC11 Q96DB2 14/20 0.66
HDAC8 Q9BY41 14/20 0.66
HDAC6 Q9UBN7 14/20 0.66
HDAC9 Q9UKV0 14/20 0.66
HDAC5 Q9UQL6 14/20 0.66
ALOX15 P16050 1/20 0.66
ITGB2 P05107 1/20 0.62
ICAM1 P05362 1/20 0.62
ITGAL P20701 1/20 0.62
ACE P12821 2/20 0.61
ECE1 P42892 1/20 0.60

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
SCHEMBL1710810 1.00 HDAC3 (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1710912 1.00 HDAC3 (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1711048 1.00 HDAC3 (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL32688141 1.00 HDAC3 (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1710911 1.00 HDAC3 (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1710813 1.00 HDAC3 (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL31452788 0.93 HDAC3 (0.65) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1711349 0.93 HDAC3 (0.65) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1711346 0.93 HDAC3 (0.65) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1711447 0.92 HDAC3 (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150510-B2 Amino acid derivative NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2015-10-06 US disclosed
EP-2345635-A1 AMINO ACID DERIVATIVE Nippon Zoki Pharmaceutical Co., Ltd. (JP) 2011-07-20 EP disclosed
US-20110172442-A1 AMINO ACID DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2011-07-14 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-20110172442-A1 AMINO ACID DERIVATIVE OPRL1, OPRK1, SLC1A1 HDAC3 3526/4885HDAC4 3171/4885HDAC1 3552/4885

“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.