SCHEMBL425222

SCHEMBL425222

[CH2]C(=O)NCCCCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.65
LMNA P02545 1/20 0.61
TSHR P16473 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
HPGD P15428 3/20 0.59
ALDH1A1 P00352 1/20 0.59
KMT2A Q03164 1/20 0.59
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
GAA P10253 1/20 0.59
HSP90AA1 P07900 1/20 0.58
POLB P06746 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
NLRP3 Q96P20 1/20 0.58
EPHX2 P34913 1/20 0.57
ASAH1 Q13510 2/20 0.56
NAMPT P43490 1/20 0.56

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
SCHEMBL422826 0.94 L3MBTL1 (0.68) TRPV1TSHRL3MBTL1HPGDALDH1A1
SCHEMBL426275 0.86 CA12 (0.63) L3MBTL1HPGDALDH1A1NPC1RAB9A
SCHEMBL15093363 0.85 EPHX2 (0.77) TRPV1LMNATSHRL3MBTL1HPGD
SCHEMBL2019835 0.85 TRPV1 (0.69) TRPV1LMNATSHRL3MBTL1HPGD
SCHEMBL15093824 0.83 EPHX2 (0.74) TRPV1LMNATSHRL3MBTL1HPGD
SCHEMBL15861957 0.83 TRPV1 (0.72) TRPV1LMNATSHRL3MBTL1HPGD
SCHEMBL893485 0.83 TRPV1 (0.72) TRPV1LMNATSHRL3MBTL1HPGD
SCHEMBL2021336 0.83 TRPV1 (0.72) TRPV1LMNATSHRL3MBTL1HPGD
SCHEMBL15093399 0.83 EPHX2 (0.74) TRPV1LMNATSHRL3MBTL1HPGD
SCHEMBL15093939 0.83 EPHX2 (0.74) TRPV1LMNATSHRL3MBTL1HPGD

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 TRPV1 4075/4885LMNA 4323/4885TSHR 4089/4885
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI TRPV1 4357/4885LMNA 4306/4885TSHR 4648/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI TRPV1 4357/4885LMNA 4306/4885TSHR 4648/4885
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 TRPV1 2001/4885LMNA 4828/4885TSHR 2758/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 TRPV1 4075/4885LMNA 4323/4885TSHR 4089/4885

“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.