SCHEMBL791753

SCHEMBL791753

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.43
NPC1 O15118 2/20 0.43
AHR P35869 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
FSCN1 Q16658 1/20 0.38
FFAR1 O14842 2/20 0.38
FFAR4 Q5NUL3 2/20 0.38
RAB9A P51151 1/20 0.38
GPBAR1 Q8TDU6 2/20 0.36
SLC6A3 Q01959 3/20 0.36
SLC6A4 P31645 1/20 0.36
PDK2 Q15119 1/20 0.36
PRKCZ Q05513 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CHRNB2 P17787 1/20 0.34

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
SCHEMBL792308 0.88 USP2 (0.39) FFAR1FFAR4GPBAR1SLC6A3SLC6A4
SCHEMBL792357 0.88 PRKCZ (0.39) FFAR1FFAR4GPBAR1SLC6A3SLC6A4
SCHEMBL792076 0.85 CYP3A4 (0.41) SMN1; SMN2HTTNPSR1FFAR1FFAR4
SCHEMBL792364 0.84 FFAR1 (0.36) NPSR1FFAR1FFAR4GPBAR1SLC6A3
SCHEMBL792081 0.84 ALDH1A1 (0.36) POLBLMNANPSR1FFAR1FFAR4
SCHEMBL791746 0.83 LTB4R2 (0.36) POLBNPSR1FFAR1FFAR4GPBAR1
SCHEMBL792356 0.80 MAPT (0.41) LMNARAB9ASLC6A3SLC6A4
SCHEMBL792362 0.79 CYP3A4 (0.40) NPC1LMNAHTTNPSR1FFAR1
SCHEMBL792121 0.79 ADRB2 (0.49) POLBSMN1; SMN2NPSR1FFAR1FFAR4
SCHEMBL792290 0.79 SLC2A2 (0.35) SMN1; SMN2LMNAHTTFFAR1FFAR4

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 11 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-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 POLB 77/4885NPC1 1131/4885AHR 2775/4885
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI POLB 88/4885NPC1 1268/4885AHR 3541/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI POLB 88/4885NPC1 1268/4885AHR 3541/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 POLB 77/4885NPC1 1131/4885AHR 2775/4885

“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.