SCHEMBL1919296

SCHEMBL1919296

Cc1nc2ccccn2c1-c1csc(C2(c3cccc(C(=O)Nc4ccccc4N)c3)CC2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.53
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
KLF5 Q13887 1/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 3/20 0.43
HTT P42858 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
NR2F2 P24468 1/20 0.43
CDK2 P24941 2/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
PIM1 P11309 1/20 0.41
RPS6KB1 P23443 1/20 0.41
FLT4 P35916 1/20 0.41
FLT3 P36888 1/20 0.41

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
SCHEMBL196976 0.92 HDAC1 (0.56) HDAC1CACNA1BAPBA1KLF5KDM4E
SCHEMBL197274 0.89 HDAC1 (0.54) HDAC1CACNA1BAPBA1KLF5KDM4E
SCHEMBL3355176 0.88 GAA (0.48) HDAC1CACNA1BAPBA1KLF5KDM4E
SCHEMBL196854 0.87 HDAC1 (0.52) HDAC1CACNA1BAPBA1KLF5KDM4E
SCHEMBL3352579 0.86 HDAC1 (0.49) HDAC1LMNACDK2CDK4CCNE1
SCHEMBL3349942 0.85 HDAC1 (0.62) HDAC1CDK2PRKD3MAP4K4FLT3
SCHEMBL3348238 0.85 HDAC1 (0.53) HDAC1HDAC3
SCHEMBL3352000 0.84 HDAC1 (0.45) HDAC1KDM4EALDH1A1LMNAMAPT
SCHEMBL3351860 0.82 HDAC1 (0.44) HDAC1HDAC3HDAC7HDAC9HDAC5
SCHEMBL3353643 0.82 HDAC1 (0.44) HDAC1HDAC3HDAC7HDAC9HDAC5

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 5 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
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

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 1/4885CACNA1B 4391/4885APBA1 1831/4885

“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.