SCHEMBL792373

SCHEMBL792373

COCc1cc(N)ccc1N1CCN(S(C)(=O)=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.43
ALDH1A1 P00352 8/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 3/20 0.41
HSD17B10 Q99714 3/20 0.41
MAPK1 P28482 2/20 0.41
POLB P06746 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
TSHR P16473 2/20 0.39
HTT P42858 2/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 2/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
USP2 O75604 2/20 0.39
MAPK10 P53779 1/20 0.39
RAD52 P43351 2/20 0.38
GAA P10253 1/20 0.38
GFER P55789 1/20 0.38

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
SCHEMBL13095961 0.84 ALDH1A1 (0.45) NPSR1ALDH1A1SMN1; SMN2LMNAHSD17B10
SCHEMBL13096145 0.83 MEN1 (0.46) NPSR1ALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL22450644 0.82 MAPT (0.56) ALDH1A1SMN1; SMN2LMNAHSD17B10MAPK1
SCHEMBL16824847 0.79 MAPT (0.42) NPSR1ALDH1A1SMN1; SMN2LMNAHSD17B10
SCHEMBL792369 0.79 L3MBTL1 (0.42) NPSR1ALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL14320645 0.78 MAPT (0.56) ALDH1A1SMN1; SMN2LMNAHSD17B10POLB
SCHEMBL16853272 0.78 HTR3E (0.46) ALDH1A1LMNAKMT2AHPGDMAPT
SCHEMBL1813781 0.77 ALDH1A1 (0.61) NPSR1ALDH1A1SMN1; SMN2LMNAHSD17B10
SCHEMBL13961606 0.77 MAPT (0.62) NPSR1ALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL12427001 0.77 HSD17B10 (0.43) NPSR1ALDH1A1SMN1; SMN2LMNAHSD17B10

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 13 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
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
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 NPSR1 3973/4885ALDH1A1 750/4885SMN1; SMN2 4306/4885
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI NPSR1 4321/4885ALDH1A1 596/4885SMN1; SMN2 4383/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI NPSR1 4321/4885ALDH1A1 596/4885SMN1; SMN2 4383/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 NPSR1 3973/4885ALDH1A1 750/4885SMN1; SMN2 4306/4885

“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.