SCHEMBL792319

SCHEMBL792319

COC[C@@H]1CCCN(C(=O)CN2C(=O)Cn3c(c(C4CCCCC4)c4ccc(C)cc43)-c3ccc(C)cc32)C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PLAT P00750 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CNR1 P21554 1/20 0.33
TSHR P16473 2/20 0.33
GAA P10253 1/20 0.33
POLB P06746 2/20 0.32
LMNA P02545 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 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
SCHEMBL12510402 0.94 KMT2A (0.34) KMT2AMEN1KDM4EALDH1A1HSD17B10
SCHEMBL14572873 0.94 KMT2A (0.34) KMT2AMEN1KDM4EALDH1A1HSD17B10
SCHEMBL792670 0.93 KMT2A (0.34) KMT2AMEN1KDM4EALDH1A1HSD17B10
SCHEMBL14572872 0.88 SCN9A (0.34) KMT2AMEN1KDM4EALDH1A1HSD17B10
SCHEMBL803832 0.86 MEN1 (0.31) KMT2AMEN1KDM4EALDH1A1
SCHEMBL12427221 0.85 ACHE (0.33) KMT2AMEN1CNR1GAA
SCHEMBL792650 0.84 MEN1 (0.40) KMT2AMEN1KDM4EALDH1A1TSHR
SCHEMBL792610 0.83 MEN1 (0.38) KMT2AMEN1KDM4EALDH1A1HSD17B10
SCHEMBL14572867 0.80 NR1I2 (0.42) KMT2AMEN1KDM4EALDH1A1HSD17B10
SCHEMBL792447 0.79 MEN1 (0.38) KMT2AMEN1ALDH1A1TSHRPOLB

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 KMT2A 1865/4885MEN1 4753/4885KDM4E 2725/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 KMT2A 1865/4885MEN1 4753/4885KDM4E 2725/4885

“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.