SCHEMBL772628

SCHEMBL772628

COc1ccc2c(c1)OCCn1c-2c(C2CCCCC2)c2ccc(C(=O)N[C@@H](Cc3ccc(OCc4ccccc4)cc3)c3noc(=O)[nH]3)cc21

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 5/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
KCNH2 Q12809 7/20 0.38
PTPN1 P18031 3/20 0.36
PRKCA P17252 1/20 0.36
MMP12 P39900 1/20 0.36
SCN5A Q14524 2/20 0.35
GSK3B P49841 1/20 0.35
YAP1 P46937 1/20 0.35

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
SCHEMBL774591 0.93 KCNH2 (0.40) NR1I2CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL772534 0.91 KCNH2 (0.39) NR1I2CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL772439 0.89 SMN1; SMN2 (0.39) NR1I2CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL771600 0.87 PTPN1 (0.41) NR1I2CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL773185 0.87 NR1I2 (0.39) NR1I2CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL773732 0.85 NR1I2 (0.41) NR1I2CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL773244 0.81 KCNH2 (0.39) NR1I2CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL771810 0.81 KCNH2 (0.42) NR1I2CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL3780892 0.81 KCNH2 (0.41) NR1I2CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL771661 0.80 KCNH2 (0.39) NR1I2CYP3A4CYP2C9CYP2C19SMN1; SMN2

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 8 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-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
EP-1719773-B1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC (JP) 2009-04-15 EP disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 EP 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 NR1I2 1189/4885CYP3A4 1341/4885CYP2C9 976/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 NR1I2 1189/4885CYP3A4 1341/4885CYP2C9 976/4885

“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.