SCHEMBL3660075

SCHEMBL3660075

Nc1ccccc1NC(=O)c1ccc(OCCN(CN2CCCCC2)C(=O)c2cc3c(C(F)(F)F)cccc3o2)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.44
MCHR1 Q99705 1/20 0.42
BRD4 O60885 1/20 0.41
JAK1 P23458 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC3 O15379 1/20 0.40
PTGS1 P23219 1/20 0.38
KDM1A O60341 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL3663056 0.90 HDAC1 (0.43) HDAC1BRD4JAK1HRH3HDAC2
SCHEMBL3664966 0.87 HDAC2 (0.51) HDAC1MCHR1BRD4JAK1HDAC2
SCHEMBL3659165 0.86 HDAC1 (0.46) HDAC1BRD4JAK1HRH3HDAC2
SCHEMBL3666548 0.86 HDAC1 (0.44) HDAC1MCHR1BRD4JAK1HRH3
SCHEMBL3665075 0.86 HDAC1 (0.43) HDAC1MCHR1HDAC2HDAC3PTGS1
SCHEMBL3662770 0.86 HDAC2 (0.51) HDAC1MCHR1BRD4JAK1HDAC2
SCHEMBL3659100 0.86 MCHR1 (0.43) HDAC1MCHR1BRD4JAK1HDAC2
SCHEMBL3664631 0.83 HDAC1 (0.43) HDAC1BRD4JAK1HDAC2HDAC3
SCHEMBL3660074 0.81 HDAC2 (0.46) HDAC1BRD4JAK1HDAC2HDAC3
SCHEMBL3663180 0.80 HDAC1 (0.51) HDAC1BRD4JAK1HDAC2HDAC3

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 HDAC1 1/4885MCHR1 4638/4885BRD4 70/4885

“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.