SCHEMBL771703

SCHEMBL771703

COC(=O)c1ccc2c(C3CCCCC3)c(Br)n(CSc3ccccc3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
MAPK8 P45983 1/20 0.39
ALDH1A1 P00352 5/20 0.39
NPSR1 Q6W5P4 3/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
RAB9A P51151 4/20 0.38
PPM1D O15297 1/20 0.38
TSHR P16473 2/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL13286271 0.89 PRKCA (0.38) HDAC1HDAC8HDAC6ALDH1A1LMNA
SCHEMBL1173428 0.85 ALDH1A1 (0.44) CNR2HDAC1HDAC8HDAC6PTGDR2
SCHEMBL3085979 0.83 ALDH1A1 (0.40) CNR2HDAC1HDAC8HDAC6MAPK8
SCHEMBL771509 0.83 ALDH1A1 (0.44) CNR2HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL10293471 0.83 ALDH1A1 (0.44) CNR2HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL772730 0.83 PKM (0.43) CNR2HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL793031 0.83 ALDH1A1 (0.36) CNR2PTGDR2ALDH1A1LMNARAB9A
SCHEMBL773119 0.82 JAK2 (0.42) CNR2HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL3073515 0.81 ALDH1A1 (0.40) CNR2HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL393361 0.81 ALDH1A1 (0.41) CNR2HDAC1HDAC8HDAC6MAPK8

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
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
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 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
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 CNR2 4449/4885HDAC1 182/4885HDAC8 380/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 CNR2 4449/4885HDAC1 182/4885HDAC8 380/4885

“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.