SCHEMBL3663600

SCHEMBL3663600

Nc1ccccc1NC(=O)c1ccc(OCCCN(C=O)c2cc3cc(C(F)(F)F)ccc3o2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.47
HDAC1 Q13547 12/20 0.44
HDAC2 Q92769 6/20 0.43
HDAC3 O15379 3/20 0.41
KDM1A O60341 1/20 0.40
CACNA1H O95180 2/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
ADORA2A P29274 2/20 0.39
CACNA1B Q00975 1/20 0.39
PIK3CA P42336 1/20 0.39

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
SCHEMBL3661219 0.90 HDAC1 (0.50) PTGS1HDAC1HDAC2HDAC3KDM1A
SCHEMBL3660128 0.89 HDAC2 (0.52) HDAC1HDAC2HDAC3CACNA1HHDAC4
SCHEMBL3657295 0.89 HDAC1 (0.45) HDAC1HDAC2HDAC3CACNA1HHDAC4
SCHEMBL3660270 0.89 HDAC1 (0.50) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL3667359 0.87 HDAC1 (0.50) HDAC1HDAC2HDAC3CACNA1HHDAC4
SCHEMBL3662941 0.86 HDAC1 (0.47) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL3659005 0.85 HDAC2 (0.52) HDAC1HDAC2HDAC3KDM1AHDAC4
SCHEMBL3749269 0.85 HDAC1 (0.45) PTGS1HDAC1HDAC2HDAC3HDAC4
SCHEMBL3662626 0.85 HDAC1 (0.46) PTGS1HDAC1HDAC2HDAC3
SCHEMBL3662623 0.85 HDAC1 (0.51) HDAC1HDAC2HDAC3HDAC4HDAC7

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-20100292320-A1 BENZOFURAN ANILIDE HISTONE DEACETYLASE INHIBITORS GILEAD COLORADO, INC. (US) 2010-11-18 US disclosed
EP-2220066-A1 BENZOFURAN ANILIDE HISTONE DEACETYLASE INHIBITORS Gilead Colorado, Inc. (US) 2010-08-25 EP disclosed
WO-2009079391-A1 BENZOFURAN ANILIDE HISTONE DEACETYLASE INHIBITORS GILEAD COLORADO, INC. (US) 2009-06-25 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-20100292320-A1 BENZOFURAN ANILIDE HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC7, HDAC5 PTGS1 2234/4885HDAC1 1/4885HDAC2 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.