SCHEMBL772337

SCHEMBL772337

N#Cc1ccc2c(-c3ccccc3)cn(CCOCc3ccccc3)c2n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.39
SQOR Q9Y6N5 1/20 0.38
BRD4 O60885 2/20 0.37
GRM2 Q14416 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NAAA Q02083 1/20 0.33
CNR1 P21554 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
MCL1 Q07820 1/20 0.32
MAOB P27338 3/20 0.32
GHSR Q92847 1/20 0.32
MAOA P21397 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
SCHEMBL772336 0.79 LTA4H (0.38) LTA4HNAAA
SCHEMBL3788415 0.75 STAT3 (0.44) BRD4MEN1KMT2A
SCHEMBL772327 0.75 F2RL3 (0.45) MEN1KMT2A
SCHEMBL4046075 0.67 ALDH1A1 (0.35) SQORBRD4MEN1KMT2A
SCHEMBL771843 0.64 ALDH1A1 (0.38) BRD4KMT2A
SCHEMBL3860037 0.61 LTA4H (0.44) LTA4HBRD4MEN1KMT2ANAAA
SCHEMBL906856 0.60 NQO1 (0.50) LTA4HSQOREGLN1MAOBGHSR
SCHEMBL17810412 0.60 TSHR (0.39) SQORBRD4NAAAMAOBGHSR
SCHEMBL9417672 0.60 GSK3B (0.44) BRD4CNR1
Biphenyl SCHEMBL27837369 0.60 TSHR (0.50) LTA4HMEN1KMT2ANAAAMAOB

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 6 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
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 LTA4H 3551/4885SQOR 311/4885BRD4 446/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 LTA4H 3551/4885SQOR 311/4885BRD4 446/4885

“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.