SCHEMBL3659100

SCHEMBL3659100

Nc1ccccc1NC(=O)c1ccc(OCCN(CN2CCCCC2)C(=O)c2oc3ccccc3c2C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.43
HDAC1 Q13547 11/20 0.42
BRD4 O60885 1/20 0.42
JAK1 P23458 1/20 0.42
HDAC2 Q92769 4/20 0.42
MAPT P10636 2/20 0.39
PTGS1 P23219 1/20 0.39
KDM1A O60341 1/20 0.39
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK10 P53779 1/20 0.38
CYP1A2 P05177 1/20 0.38
GAA P10253 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HDAC3 O15379 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL3658333 0.86 HDAC2 (0.46) HDAC1HDAC2MAPTPTGS1LMNA
SCHEMBL3660075 0.86 HDAC1 (0.44) MCHR1HDAC1BRD4JAK1HDAC2
SCHEMBL3658970 0.83 L3MBTL1 (0.46) MCHR1HDAC1BRD4JAK1HDAC2
SCHEMBL3666548 0.82 HDAC1 (0.44) MCHR1HDAC1BRD4JAK1HDAC2
SCHEMBL3659165 0.82 HDAC1 (0.46) HDAC1BRD4JAK1HDAC2PTGS1
SCHEMBL3664966 0.82 HDAC2 (0.51) MCHR1HDAC1BRD4JAK1HDAC2
SCHEMBL3662770 0.81 HDAC2 (0.51) MCHR1HDAC1BRD4JAK1HDAC2
SCHEMBL3663056 0.80 HDAC1 (0.43) HDAC1BRD4JAK1HDAC2PTGS1
SCHEMBL3661336 0.79 HDAC2 (0.54) HDAC1HDAC2MAPTPTGS1KDM1A
SCHEMBL3663430 0.77 HDAC2 (0.47) MCHR1HDAC1HDAC2MAPTKDM1A

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 MCHR1 4638/4885HDAC1 1/4885BRD4 70/4885

“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.