SCHEMBL3745834

SCHEMBL3745834

Nc1ccccc1NC(=O)c1ccc(OCCN(COc2ccc(F)cc2)C(=O)c2cc3ccccc3o2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.55
HDAC2 Q92769 5/20 0.55
KDM1A O60341 1/20 0.49
CACNA1B Q00975 2/20 0.47
KMT2A Q03164 2/20 0.47
APBA1 Q02410 1/20 0.47
CACNA1H O95180 2/20 0.45
HDAC3 O15379 1/20 0.44
ALPG P10696 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.42
TSHR P16473 2/20 0.42
MAPK1 P28482 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL3663553 0.94 HDAC2 (0.55) HDAC1HDAC2CACNA1BCACNA1HHDAC3
SCHEMBL3662019 0.94 HDAC2 (0.50) HDAC1HDAC2KDM1ACACNA1BKMT2A
SCHEMBL3746294 0.94 HDAC2 (0.51) HDAC1HDAC2KDM1ACACNA1BKMT2A
SCHEMBL3746296 0.92 HDAC1 (0.52) HDAC1HDAC2KDM1ACACNA1BCACNA1H
SCHEMBL3662020 0.92 HDAC1 (0.52) HDAC1HDAC2KDM1ACACNA1BCACNA1H
SCHEMBL3660290 0.90 HDAC2 (0.55) HDAC1HDAC2KMT2AHDAC3ALPG
SCHEMBL3660719 0.89 HDAC2 (0.52) HDAC1HDAC2KDM1AHDAC3ALPG
SCHEMBL3660155 0.89 HDAC2 (0.51) HDAC1HDAC2KDM1AHDAC3ALPG
SCHEMBL3661187 0.88 HDAC2 (0.56) HDAC1HDAC2HDAC3ALPGNPC1
SCHEMBL3661033 0.87 HDAC2 (0.55) HDAC1HDAC2HDAC3ALPGNPC1

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 1/4885HDAC2 4/4885KDM1A 41/4885

“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.