SCHEMBL792562

SCHEMBL792562

Cc1ccc2c(C3CCCCC3)c3n(c2c1)CCN(CCN1CCSCC1)c1ccccc1-3

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.33
MMP12 P39900 1/20 0.33
KDM1A O60341 1/20 0.33
NR1I2 O75469 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL804133 0.86 PRKCA (0.46) PRKCAMMP12NR1I2HTR2AHTR7
SCHEMBL804226 0.86 PRKCA (0.31) PRKCAMMP12
SCHEMBL14572858 0.85 PRKCA (0.39) PRKCAMMP12NR1I2KDM4EHSD17B10
SCHEMBL792434 0.85 PRKCA (0.31) PRKCAMMP12KDM1A
SCHEMBL792560 0.84 CHRM2 (0.39) PRKCAMMP12NR1I2KDM4EMEN1
SCHEMBL10283746 0.84 PRKCA (0.43) PRKCAMMP12NR1I2ALDH1A1SCN9A
SCHEMBL792836 0.81 PRKCA (0.33) PRKCAMMP12KDM4EMEN1NPC1
SCHEMBL792442 0.81 OPRM1 (0.34) DRD2DRD3
SCHEMBL792242 0.81 ACHE (0.38) NR1I2DRD2DRD3
SCHEMBL792424 0.80 PRKCA (0.41) PRKCAMMP12NR1I2KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US 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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 PRKCA 2404/4885MMP12 1013/4885KDM1A 2861/4885

“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.