SCHEMBL427122

SCHEMBL427122

[CH2]C(=O)N(C)c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.50
TRPV1 Q8NER1 1/20 0.49
GAA P10253 3/20 0.46
HPGD P15428 1/20 0.46
POLQ O75417 1/20 0.45
F7 P08709 1/20 0.44
F3 P13726 1/20 0.44
SARM1 Q6SZW1 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
SIRT6 Q8N6T7 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
SIRT3 Q9NTG7 1/20 0.44
SIRT5 Q9NXA8 1/20 0.44
SIRT4 Q9Y6E7 1/20 0.44
HTT P42858 2/20 0.43
KDM4E B2RXH2 3/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 3/20 0.41
APP P05067 1/20 0.41
HCAR3 P49019 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
SCHEMBL3576501 0.83 NOTUM (0.51) NOTUMTRPV1GAAHPGDPOLQ
SCHEMBL965251 0.83 NOTUM (0.51) NOTUMTRPV1GAAHPGDPOLQ
SCHEMBL1577273 0.81 NOTUM (0.50) NOTUMTRPV1GAAHPGDPOLQ
Hydrochloric Acid SCHEMBL5349528 0.81 NOTUM (0.50) NOTUMTRPV1GAAHPGDPOLQ
SCHEMBL9016336 0.81 NOTUM (0.50) NOTUMTRPV1GAAHPGDPOLQ
SCHEMBL16295458 0.81 NOTUM (0.50) NOTUMTRPV1GAAHPGDPOLQ
Hydrochloric Acid SCHEMBL17785084 0.80 NOTUM (0.49) NOTUMTRPV1GAAHPGDPOLQ
SCHEMBL2488107 0.79 NOTUM (0.48) NOTUMTRPV1GAAHPGDPOLQ
SCHEMBL5225657 0.79 NOTUM (0.48) NOTUMTRPV1GAAHPGDPOLQ
SCHEMBL3159549 0.79 NOTUM (0.48) NOTUMTRPV1GAAHPGDPOLQ

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-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
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
EP-1719773-B1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC (JP) 2009-04-15 EP 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
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 EP disclosed
EP-1688420-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2006-08-09 EP disclosed
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2006-07-27 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 (5 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 NOTUM 548/4885TRPV1 4075/4885GAA 374/4885
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI NOTUM 382/4885TRPV1 4357/4885GAA 451/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI NOTUM 382/4885TRPV1 4357/4885GAA 451/4885
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 NOTUM 372/4885TRPV1 2001/4885GAA 995/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 NOTUM 548/4885TRPV1 4075/4885GAA 374/4885

“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.