SCHEMBL658165

SCHEMBL658165

Cc1nc2ccc(C(=O)NCCN3CCOCC3)cn2c1-c1ccnc(C2(c3ccc(C(=O)Nc4ccccc4N)cc3)CC2)n1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.50
MAPK14 Q16539 1/20 0.43
HPGDS O60760 3/20 0.42
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
BCL3 P20749 1/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
JAK2 O60674 1/20 0.41
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40

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
SCHEMBL658254 0.91 HDAC1 (0.48) HDAC1MAPK14HPGDSALDH1A1GAA
SCHEMBL658592 0.89 HPGDS (0.43) HDAC1HPGDSALDH1A1KDM4E
SCHEMBL656858 0.88 HDAC1 (0.53) HDAC1ALDH1A1GAAKDM4EGLA
SCHEMBL3357396 0.87 HDAC1 (0.42) HDAC1MAPK14HPGDSALDH1A1GAA
SCHEMBL703631 0.86 JAK2 (0.57) HDAC1MAPK14JAK2AURKAAURKB
SCHEMBL197903 0.85 HDAC1 (0.42) HDAC1MAPK14HPGDSALDH1A1GAA
SCHEMBL3355078 0.85 HDAC1 (0.42) HDAC1MAPK14HPGDSALDH1A1GAA
SCHEMBL659880 0.84 HDAC1 (0.54) HDAC1MAPK14JAK2
SCHEMBL656639 0.83 HDAC1 (0.52) HDAC1JAK2
SCHEMBL3353564 0.83 HDAC1 (0.56) HDAC1

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-8198299-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-06-12 US claimed
US-20120045412-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-02-23 US 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 (2 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-20120045412-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 HDAC1 1/4885MAPK14 2194/4885HPGDS 636/4885
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 HDAC1 1/4885MAPK14 2194/4885HPGDS 636/4885

“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.