SCHEMBL792783

SCHEMBL792783

Cc1ccc2c(C3CCCCC3)c(-c3cccn3C(=O)OC(C)(C)C)n(CCCCl)c2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
CNR2 P34972 1/20 0.34
PIM1 P11309 1/20 0.33
MARK3 P27448 1/20 0.33
MAP4K2 Q12851 1/20 0.33
CAMK2B Q13554 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
TP53 P04637 5/20 0.33
LMNA P02545 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PIK3R1 P27986 1/20 0.32
PIK3CA P42336 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
EPHX1 P07099 1/20 0.31
PSEN1 P49768 1/20 0.31

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
SCHEMBL772476 0.89 SCN9A (0.36) HSP90AA1HSP90AB1CNR2LMNANPSR1
SCHEMBL804684 0.88 HSP90AA1 (0.33) HSP90AA1HSP90AB1PIM1MARK3MAP4K2
SCHEMBL13286184 0.80 CNR2 (0.33) HSP90AA1HSP90AB1CNR2PIM1MARK3
SCHEMBL793146 0.68 CNR2 (0.40) CNR2PIM1PIM3TP53MEN1
SCHEMBL792727 0.68 DRD2 (0.44) CNR2TP53MAPT
SCHEMBL12427556 0.67 KDM1A (0.37) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL792821 0.66 MAPK1 (0.40) LMNANPSR1
SCHEMBL773870 0.66 SCN9A (0.39) CNR2LMNANPSR1SMN1; SMN2
SCHEMBL793072 0.65 CNR2 (0.36) CNR2TP53MEN1KMT2AMAPT
SCHEMBL792654 0.65 GPR119 (0.40) TP53

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 HSP90AA1 2103/4885HSP90AB1 1963/4885CNR2 4449/4885

“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.