SCHEMBL792579

SCHEMBL792579

COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(=O)Nc1cc(OCc2ccccc2)ccc1-3

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
NR1I2 O75469 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CNR2 P34972 1/20 0.39
CREBBP Q92793 1/20 0.39
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
PRKCA P17252 1/20 0.38
MMP12 P39900 1/20 0.38
KCNH2 Q12809 2/20 0.38
PTPN1 P18031 2/20 0.38
PRKDC P78527 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
SCHEMBL925855 0.85 CDK1 (0.46) NR1I2ALDH1A1SMN1; SMN2CNR2CREBBP
SCHEMBL13476310 0.84 CREBBP (0.39) ALDH1A1MAPTSMN1; SMN2CREBBPMAOA
SCHEMBL14572868 0.84 ALDH1A1 (0.41) NR1I2ALDH1A1SMN1; SMN2CREBBPKCNH2
SCHEMBL14253412 0.83 NR1I2 (0.45) HDAC1HDAC8HDAC6NR1I2CYP3A4
SCHEMBL804034 0.83 ALDH1A1 (0.40) NR1I2ALDH1A1SMN1; SMN2CREBBPKCNH2
SCHEMBL14253164 0.82 MAOA (0.44) HDAC1HDAC8HDAC6NR1I2CYP3A4
SCHEMBL772494 0.81 PRKCA (0.45) HDAC1HDAC8HDAC6NR1I2CYP3A4
SCHEMBL4830093 0.81 NR1I2 (0.41) HDAC1HDAC8HDAC6NR1I2CYP3A4
SCHEMBL792952 0.80 HDAC6 (0.38) HDAC1HDAC8HDAC6NR1I2CYP3A4
SCHEMBL13936766 0.80 NR1I2 (0.57) HDAC1HDAC8HDAC6NR1I2CYP3A4

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 9 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-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-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed
US-7348425-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
US-7348425-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 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
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 HDAC1 182/4885HDAC8 380/4885HDAC6 82/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 HDAC1 182/4885HDAC8 380/4885HDAC6 82/4885

“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.