SCHEMBL804383

SCHEMBL804383

COCc1cc(C(=O)NC(C)(C)CO)ccc1-c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 3/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
ATM Q13315 1/20 0.49
CNR2 P34972 3/20 0.42
CNR1 P21554 2/20 0.42
MAPT P10636 1/20 0.40
SMPD1 P17405 1/20 0.39
PTGS2 P35354 1/20 0.39
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 2/20 0.38
TP53 P04637 1/20 0.38
SUCNR1 Q9BXA5 1/20 0.38
ABL1 P00519 1/20 0.38
DGAT2 Q96PD7 1/20 0.38
ANO1 Q5XXA6 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL803867 0.91 ANO1 (0.43) GABRA5CNR1MAPTSMPD1HPGD
SCHEMBL804460 0.84 SLC6A4 (0.48) NPC1CNR1MAPTSMPD1HPGD
SCHEMBL803876 0.83 CSNK2A2 (0.45) NPC1RAB9AMAPTSMPD1HPGD
SCHEMBL804401 0.82 LMNA (0.47) CNR2CNR1MAPTSMPD1HPGD
SCHEMBL10283467 0.82 NPSR1 (0.46) GABRA5RAB9ACNR1MAPTSMPD1
SCHEMBL804473 0.81 HPGD (0.50) GABRA5HPGDSMN1; SMN2POLBTP53
SCHEMBL804293 0.80 HPGD (0.46) MAPTHPGDSMN1; SMN2POLBTP53
SCHEMBL803870 0.80 CNR1 (0.47) CNR2CNR1HPGDPOLB
SCHEMBL792129 0.80 MRGPRX4 (0.48) NPC1RAB9A
SCHEMBL792121 0.80 ADRB2 (0.49) ATMMAPTHPGDSMN1; SMN2POLB

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 9 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-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 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-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US disclosed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 GABRA5 2542/4885NPC1 1131/4885RAB9A 2410/4885
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI GABRA5 1856/4885NPC1 1268/4885RAB9A 1530/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI GABRA5 1856/4885NPC1 1268/4885RAB9A 1530/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 GABRA5 2542/4885NPC1 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.