SCHEMBL792096

SCHEMBL792096

CC(=O)c1ccc2c(C)c(C)n(CN)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
MAPT P10636 4/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTR1A P08908 1/20 0.37
HTR1D P28221 1/20 0.37

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
SCHEMBL792576 0.86 MAPT (0.48) ALDH1A1HPGDMAPTKDM4EMEN1
SCHEMBL8386913 0.80 HDAC3 (0.56) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL792363 0.78 ALDH1A1 (0.52) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL14448731 0.78 PPARG (0.43) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL792499 0.75 NR2F2 (0.41) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL4506807 0.72 PPARG (0.61) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL2806056 0.70 PTGER4 (0.47) ALDH1A1KDM4EKMT2APPARGPOLB
SCHEMBL792574 0.69 RPS6KA5 (0.35) ALDH1A1HPGDMAPTKDM4EMEN1
SCHEMBL7662422 0.68 MAPT (0.54) ALDH1A1HPGDMAPTKDM4EMEN1
SCHEMBL21135536 0.68 ALDH1A1 (0.59) ALDH1A1HPGDMAPTKDM4EMEN1

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-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
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 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 (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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 HDAC3 428/4885HDAC1 182/4885HDAC2 565/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 HDAC3 428/4885HDAC1 182/4885HDAC2 565/4885

“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.