SCHEMBL804473

SCHEMBL804473

COCc1cc(C(=O)NCCO)ccc1-c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.50
POLB P06746 2/20 0.50
HSD17B10 Q99714 1/20 0.50
HTT P42858 1/20 0.50
GABRA5 P31644 1/20 0.46
MCHR1 Q99705 2/20 0.46
GCG P01275 4/20 0.45
GAA P10253 1/20 0.44
GCGR P47871 1/20 0.43
TACR2 P21452 1/20 0.43
TACR1 P25103 1/20 0.43
MALT1 Q9UDY8 1/20 0.43
CYP1A2 P05177 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
MAOB P27338 1/20 0.43
TNKS2 Q9H2K2 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL803870 0.92 CNR1 (0.47) HPGDPOLBMCHR1GCGGAA
SCHEMBL791678 0.90 HPGD (0.50) HPGDPOLBHSD17B10HTTGABRA5
SCHEMBL10286656 0.90 CNR1 (0.50) HPGDTACR2TACR1TP53SMN1; SMN2
SCHEMBL804401 0.89 LMNA (0.47) HPGDPOLBGCGGAACYP1A2
SCHEMBL13286177 0.88 HPGD (0.44) HPGDPOLBHSD17B10HTTCYP1A2
SCHEMBL804293 0.87 HPGD (0.46) HPGDPOLBGCGGCGRCYP1A2
SCHEMBL804460 0.86 SLC6A4 (0.48) HPGDPOLBMALT1CYP1A2KMT2A
SCHEMBL804209 0.86 HPGD (0.52) HPGDPOLBHSD17B10HTTGABRA5
SCHEMBL803876 0.85 CSNK2A2 (0.45) HPGDPOLBGAATACR2TACR1
SCHEMBL803998 0.85 PSEN1 (0.51) MCHR1GAACYP1A2KMT2ASMN1; SMN2

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 HPGD 2752/4885POLB 77/4885HSD17B10 1073/4885
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI HPGD 2210/4885POLB 88/4885HSD17B10 905/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI HPGD 2210/4885POLB 88/4885HSD17B10 905/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 HPGD 2752/4885POLB 77/4885HSD17B10 1073/4885

“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.