SCHEMBL17457550

SCHEMBL17457550

Nc1ccccc1NC(=O)c1ccccc1/N=N/c1ccc(C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 13/20 0.56
▸ HDAC3 O15379 5/20 0.51
▸ HDAC2 Q92769 5/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ NCOR2 Q9Y618 2/20 0.50
▸ TRPA1 O75762 1/20 0.49
▸ IDE P14735 1/20 0.48
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ SENP8 Q96LD8 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ SENP7 Q9BQF6 1/20 0.46
▸ SENP6 Q9GZR1 1/20 0.46
▸ PTGS1 P23219 1/20 0.45
▸ HDAC4 P56524 1/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.44
▸ HDAC10 Q969S8 1/20 0.44
▸ HDAC11 Q96DB2 1/20 0.44

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
SCHEMBL17457552 1.00 HDAC1 (0.56) HDAC1HDAC3HDAC2MAPK1NCOR2
SCHEMBL17472004 0.87 HDAC1 (0.71) HDAC1HDAC3HDAC2MAPK1NCOR2
SCHEMBL20767993 0.87 HDAC1 (0.71) HDAC1HDAC3HDAC2MAPK1NCOR2
SCHEMBL17457541 0.81 HDAC1 (0.75) HDAC1HDAC3HDAC2MAPK1NCOR2
SCHEMBL17457542 0.81 HDAC1 (0.75) HDAC1HDAC3HDAC2MAPK1NCOR2
SCHEMBL6692602 0.79 TRPA1 (0.67) HDAC1MAPK1TRPA1IDENPC1
SCHEMBL30863757 0.79 TRPA1 (0.67) HDAC1MAPK1TRPA1IDENPC1
SCHEMBL6692597 0.79 TRPA1 (0.67) HDAC1MAPK1TRPA1IDENPC1
SCHEMBL30827268 0.78 IDE (0.75) MAPK1TRPA1IDENPC1RAB9A
SCHEMBL28907337 0.78 IDE (0.75) MAPK1TRPA1IDENPC1RAB9A

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-20160022817-A1 Photoswitchable HDAC Inhibitors THE GENERAL HOSPITAL CORPORATION (US) 2016-01-28 — — 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-20160022817-A1 Photoswitchable HDAC Inhibitors HDAC1, HDAC4, HDAC3 HDAC1 1/4885HDAC3 3/4885HDAC2 4/4885

“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.

Send feedback