SCHEMBL3666026

SCHEMBL3666026

Nc1ccccc1NC(=O)c1ccc(OCCN(CCc2ccccc2C(F)(F)F)C(=O)c2cc3ccccc3o2)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
HDAC2 Q92769 5/20 0.49
HDAC1 Q13547 10/20 0.43
HDAC3 O15379 1/20 0.41
PTGS1 P23219 1/20 0.41
ALPG P10696 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HDAC6 Q9UBN7 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
SCHEMBL3665073 0.89 HDAC2 (0.52) NPC1RAB9AHDAC2HDAC1HDAC3
SCHEMBL3657258 0.87 HDAC2 (0.55) NPC1RAB9AHDAC2HDAC1HDAC3
SCHEMBL3658331 0.87 HDAC2 (0.48) NPC1RAB9AHDAC2HDAC1HDAC3
SCHEMBL3660155 0.86 HDAC2 (0.51) NPC1RAB9AHDAC2HDAC1HDAC3
SCHEMBL3659804 0.86 HDAC1 (0.42) NPC1RAB9AHDAC2HDAC1HDAC3
SCHEMBL3660719 0.85 HDAC2 (0.52) NPC1RAB9AHDAC2HDAC1HDAC3
SCHEMBL3665075 0.85 HDAC1 (0.43) NPC1RAB9AHDAC2HDAC1HDAC3
SCHEMBL3661220 0.85 HDAC2 (0.55) NPC1RAB9AHDAC2HDAC1HDAC3
SCHEMBL3661033 0.85 HDAC2 (0.55) NPC1RAB9AHDAC2HDAC1HDAC3
SCHEMBL3666027 0.84 HDAC1 (0.48) NPC1RAB9AHDAC2HDAC1HDAC3

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 NPC1 1524/4885RAB9A 3594/4885HDAC2 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.