SCHEMBL3661033

SCHEMBL3661033

CCCN(CCOc1ccc(C(=O)Nc2ccccc2N)cc1)C(=O)c1cc2ccccc2o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 4/20 0.55
HDAC1 Q13547 8/20 0.53
TP53 P04637 3/20 0.48
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
HDAC3 O15379 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA9 Q16790 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL3660297 0.94 HDAC1 (0.53) HDAC2HDAC1TP53LMNAALDH1A1
SCHEMBL3661187 0.94 HDAC2 (0.56) HDAC2HDAC1TP53LMNAALDH1A1
SCHEMBL3660837 0.93 HDAC2 (0.54) HDAC2HDAC1TP53LMNAALDH1A1
SCHEMBL3659995 0.91 HDAC2 (0.53) HDAC2HDAC1TP53LMNAALDH1A1
SCHEMBL3662108 0.90 HDAC2 (0.55) HDAC2HDAC1TP53SMN1; SMN2NPC1
SCHEMBL3660290 0.90 HDAC2 (0.55) HDAC2HDAC1TP53ALDH1A1SMN1; SMN2
SCHEMBL3657258 0.90 HDAC2 (0.55) HDAC2HDAC1SMN1; SMN2NPC1POLB
SCHEMBL3663553 0.90 HDAC2 (0.55) HDAC2HDAC1TP53SMN1; SMN2NPC1
SCHEMBL3660177 0.88 HDAC2 (0.58) HDAC2HDAC1TP53ALDH1A1SMN1; SMN2
SCHEMBL3664824 0.87 HDAC2 (0.55) HDAC2HDAC1SMN1; SMN2NPC1POLB

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 6 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 claimed
EP-2220066-A1 BENZOFURAN ANILIDE HISTONE DEACETYLASE INHIBITORS Gilead Colorado, Inc. (US) 2010-08-25 EP claimed
WO-2009079391-A1 BENZOFURAN ANILIDE HISTONE DEACETYLASE INHIBITORS GILEAD COLORADO, INC. (US) 2009-06-25 WO claimed
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 HDAC2 4/4885HDAC1 1/4885TP53 3163/4885

“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.