SCHEMBL792722

SCHEMBL792722

Cc1ccc2c(C3CCCCC3)c(Br)n(CCOC3CCCCO3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
P2RX3 P56373 7/20 0.33
CNR2 P34972 1/20 0.32
TGFBR1 P36897 1/20 0.31
TGFBR2 P37173 1/20 0.31
MET P08581 1/20 0.31
CNR1 P21554 1/20 0.30
EP300 Q09472 1/20 0.30
CREBBP Q92793 1/20 0.30

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
SCHEMBL803865 0.84 NPC1 (0.38) KDM4CNPC1RAB9AL3MBTL1MEN1
SCHEMBL772086 0.84 KMT2A (0.40) KDM4CNPC1RAB9AMEN1KMT2A
SCHEMBL792856 0.80 CNR2 (0.36) MEN1KMT2ACNR2CNR1
SCHEMBL792724 0.80 CNR2 (0.37) NPC1RAB9ACNR2CNR1
SCHEMBL792857 0.80 JAK2 (0.36) NPC1RAB9ACNR2CNR1
SCHEMBL792693 0.76 NPC1 (0.37) KDM4CNPC1RAB9AL3MBTL1MEN1
SCHEMBL792427 0.75 CNR2 (0.41) RAB9AL3MBTL1MEN1KMT2ACNR2
SCHEMBL792898 0.73 TP53 (0.39) NPC1RAB9AL3MBTL1CNR2CNR1
SCHEMBL792858 0.73 KMT2A (0.39) RAB9AL3MBTL1MEN1KMT2A
SCHEMBL13006921 0.73 CNR1 (0.33) NPC1RAB9ACNR2CNR1

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 KDM4C 1894/4885NPC1 1131/4885RAB9A 2410/4885

“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.