SCHEMBL658254

SCHEMBL658254

Cc1nc2cc(C(=O)NCCN3CCOCC3)ccn2c1-c1ccnc(C2(c3ccc(C(=O)Nc4ccccc4N)cc3)CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.48
MAPK14 Q16539 2/20 0.45
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 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
HPGDS O60760 3/20 0.41
BCL3 P20749 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 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
SCHEMBL658165 0.91 HDAC1 (0.50) HDAC1MAPK14ALDH1A1GAAKDM4E
SCHEMBL3352574 0.89 POLB (0.43) HDAC1ALDH1A1KDM4EHPGDSCYP1A2
SCHEMBL659880 0.89 HDAC1 (0.54) HDAC1MAPK14
SCHEMBL657269 0.88 HDAC1 (0.51) HDAC1
SCHEMBL3356510 0.88 MAPK14 (0.42) HDAC1MAPK14ALDH1A1GAAKDM4E
SCHEMBL701985 0.87 JAK2 (0.56) HDAC1MAPK14
SCHEMBL196678 0.86 MAPK14 (0.42) HDAC1MAPK14ALDH1A1GAAKDM4E
SCHEMBL657139 0.85 HDAC1 (0.54) HDAC1
SCHEMBL3356058 0.85 MAPK14 (0.42) HDAC1MAPK14ALDH1A1GAAKDM4E
SCHEMBL657800 0.84 HDAC1 (0.53) 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 2194/4885ALDH1A1 957/4885
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 HDAC1 1/4885MAPK14 2194/4885ALDH1A1 957/4885

“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.