SCHEMBL3658970

SCHEMBL3658970

Cc1c(C(=O)N(CCOc2ccc(C(=O)Nc3ccccc3N)cc2)CN2CCNCC2)oc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
HDAC2 Q92769 4/20 0.44
RXFP1 Q9HBX9 1/20 0.43
KMT2A Q03164 1/20 0.42
HDAC1 Q13547 8/20 0.42
MAPT P10636 2/20 0.41
BRD4 O60885 1/20 0.41
JAK1 P23458 1/20 0.41
TP53 P04637 2/20 0.40
ADORA2A P29274 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK10 P53779 1/20 0.40
KDM1A O60341 1/20 0.39
HDAC3 O15379 2/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 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
SCHEMBL3664631 0.88 HDAC1 (0.43) HDAC2RXFP1HDAC1BRD4JAK1
SCHEMBL3664547 0.84 HDAC1 (0.45) HDAC2HDAC1BRD4JAK1ADORA2A
SCHEMBL3662956 0.84 HDAC1 (0.50) HDAC2HDAC1BRD4JAK1ADORA2A
SCHEMBL3659100 0.83 MCHR1 (0.43) HDAC2RXFP1HDAC1MAPTBRD4
SCHEMBL3663789 0.81 HDAC1 (0.43) HDAC2HDAC1BRD4JAK1ADORA2A
SCHEMBL3662770 0.79 HDAC2 (0.51) HDAC2KMT2AHDAC1MAPTBRD4
SCHEMBL3664629 0.78 HDAC2 (0.49) HDAC2KMT2AHDAC1BRD4JAK1
SCHEMBL3664966 0.78 HDAC2 (0.51) HDAC2HDAC1MAPTBRD4JAK1
SCHEMBL3658967 0.78 HDAC2 (0.46) HDAC2HDAC1BRD4JAK1TP53
SCHEMBL3660075 0.78 HDAC1 (0.44) HDAC2HDAC1BRD4JAK1KDM1A

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 L3MBTL1 3108/4885HDAC2 4/4885RXFP1 4410/4885

“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.