SCHEMBL791678

SCHEMBL791678

COCc1ccc(C(=O)NCCO)cc1-c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.50
HTT P42858 2/20 0.50
HSD17B10 Q99714 1/20 0.50
POLB P06746 1/20 0.50
GABRA5 P31644 1/20 0.46
MCHR1 Q99705 2/20 0.46
GAA P10253 2/20 0.44
GCG P01275 2/20 0.43
GCGR P47871 1/20 0.43
MALT1 Q9UDY8 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 2/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
MAOB P27338 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
SMPD1 P17405 1/20 0.41

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
SCHEMBL804473 0.90 HPGD (0.50) HPGDHTTHSD17B10POLBGABRA5
SCHEMBL792263 0.84 NPSR1 (0.46) HPGDHTTPOLBGABRA5SMPD1
SCHEMBL13286179 0.83 HPGD (0.43) HPGDHTTPOLBGABRA5SMPD1
SCHEMBL792267 0.82 CYP3A4 (0.57) HTTGAALMNAMMP13CYP2D6
SCHEMBL803870 0.82 CNR1 (0.47) HPGDPOLBMCHR1GAAGCG
SCHEMBL791479 0.81 MAP4K4 (0.45) MALT1MEN1KMT2ASMPD1MAPT
SCHEMBL10286656 0.80 CNR1 (0.50) HPGDTACR2TACR1SMN1; SMN2
SCHEMBL804401 0.79 LMNA (0.47) HPGDPOLBGAAGCGLMNA
SCHEMBL791976 0.79 TACR1 (0.46) HPGDHSD17B10MALT1LMNACYP1A2
SCHEMBL13286177 0.78 HPGD (0.44) HPGDHTTHSD17B10POLBCYP1A2

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 12 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-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-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-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 2752/4885HTT 1606/4885HSD17B10 1073/4885
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI HPGD 2210/4885HTT 3457/4885HSD17B10 905/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI HPGD 2210/4885HTT 3457/4885HSD17B10 905/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 HPGD 2752/4885HTT 1606/4885HSD17B10 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.