SCHEMBL1919031

SCHEMBL1919031

O=C(NO)c1ccc(C2(c3nc(-c4ccncc4)cs3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.51
HDAC6 Q9UBN7 5/20 0.51
ELOVL1 Q9BW60 1/20 0.49
PARP1 P09874 1/20 0.45
ROCK1 Q13464 3/20 0.43
KDM1A O60341 1/20 0.43
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
GRM1 Q13255 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ROCK2 O75116 1/20 0.39
WNT3A P56704 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 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
SCHEMBL9910030 0.91 MAPT (0.49) HDAC1HDAC6ELOVL1PARP1ROCK1
SCHEMBL1919049 0.89 HDAC1 (0.53) HDAC1HDAC6KDM1AHDAC4HDAC7
SCHEMBL13494265 0.84 HDAC1 (0.46) HDAC1HDAC6KDM1AHDAC4HDAC7
SCHEMBL1919490 0.83 HDAC1 (0.52) HDAC1HDAC6ELOVL1PARP1ROCK1
SCHEMBL1920158 0.82 ADORA3 (0.52) HDAC6GRM1MEN1KMT2AKDM4E
SCHEMBL5645955 0.82 RAB9A (0.54) ELOVL1GRM1MEN1KMT2AKDM4E
SCHEMBL197796 0.82 LMNA (0.49) HDAC1HDAC6KDM1AHDAC8KDM4E
SCHEMBL12487245 0.80 ELOVL1 (0.55) ELOVL1PARP1ROCK1GRM1MEN1
SCHEMBL2697136 0.80 HDAC1 (0.44) HDAC1ELOVL1PARP1ROCK1MEN1
SCHEMBL658895 0.80 HDAC1 (0.50) HDAC1HDAC6ELOVL1KDM1AHDAC8

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198299-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-06-12 US claimed
JP-2011529504-A 2011-12-08 JP claimed
CN-102123987-A Cycloalkylidene and heterocycloalkylidene histone deacetylase inhibitor compounds GILEAD COLORADO INC 2011-07-13 CN claimed
EP-2326622-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE HISTONE DEACETYLASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-06-01 EP claimed
WO-2010014611-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE HISTONE DEACETYLASE INHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-02-04 WO claimed
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-01-28 US claimed
WO-2010014611-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE HISTONE DEACETYLASE INHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-02-04 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-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 HDAC1 1/4885HDAC6 7/4885ELOVL1 337/4885

“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.