SCHEMBL3666027

SCHEMBL3666027

Nc1ccccc1NC(=O)c1ccc(OCCN(CCc2ccccc2)C(=O)c2cc3ccc(C(F)(F)F)cc3o2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.48
PTGS1 P23219 2/20 0.46
HDAC2 Q92769 5/20 0.43
KDM1A O60341 1/20 0.42
HDAC3 O15379 2/20 0.41
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
NPC1 O15118 1/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
PPARG P37231 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
SCHEMBL3662635 0.94 PTGS1 (0.46) HDAC1PTGS1HDAC2HDAC3HDAC4
SCHEMBL3665073 0.92 HDAC2 (0.52) HDAC1PTGS1HDAC2HDAC3HDAC8
SCHEMBL3658331 0.91 HDAC2 (0.48) HDAC1PTGS1HDAC2HDAC3NPC1
SCHEMBL3657258 0.90 HDAC2 (0.55) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL3659804 0.86 HDAC1 (0.42) HDAC1PTGS1HDAC2HDAC3HDAC4
SCHEMBL3659165 0.86 HDAC1 (0.46) HDAC1PTGS1HDAC2KDM1A
SCHEMBL3665075 0.85 HDAC1 (0.43) HDAC1PTGS1HDAC2HDAC3HDAC4
SCHEMBL3666026 0.84 NPC1 (0.49) HDAC1PTGS1HDAC2HDAC3HDAC6
SCHEMBL3661223 0.83 HDAC2 (0.56) HDAC1PTGS1HDAC2KDM1AHDAC3
SCHEMBL3662606 0.83 HDAC2 (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 HDAC1 1/4885PTGS1 2234/4885HDAC2 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.