SCHEMBL792292

SCHEMBL792292

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
HSD17B10 Q99714 3/20 0.38
MAPK1 P28482 2/20 0.38
POLB P06746 2/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
NPSR1 Q6W5P4 5/20 0.38
TSHR P16473 2/20 0.37
HPGD P15428 3/20 0.37
KDM4E B2RXH2 2/20 0.37
USP2 O75604 1/20 0.37
MAPT P10636 1/20 0.37
LMNA P02545 3/20 0.37
MAPK10 P53779 1/20 0.36
KDM2B Q8NHM5 1/20 0.36
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 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
SCHEMBL792372 0.83 HSP90AA1 (0.43) ALDH1A1SMN1; SMN2HSD17B10MAPK1HPGD
SCHEMBL12427001 0.78 HSD17B10 (0.43) ALDH1A1SMN1; SMN2HSD17B10MAPK1POLB
SCHEMBL792373 0.77 NPSR1 (0.43) ALDH1A1SMN1; SMN2HSD17B10MAPK1POLB
SCHEMBL428806 0.73 PRKDC (0.40) ALDH1A1SMN1; SMN2MAPK1KDM4EMAPT
SCHEMBL10252524 0.72 HSP90AA1 (0.41) ALDH1A1SMN1; SMN2HSD17B10MAPK1HPGD
SCHEMBL791759 0.71 RORC (0.38) ALDH1A1HSD17B10MAPK1POLBHPGD
SCHEMBL792304 0.71 HSP90AA1 (0.43) ALDH1A1SMN1; SMN2HSD17B10MAPK1HPGD
SCHEMBL792369 0.70 L3MBTL1 (0.42) ALDH1A1SMN1; SMN2NPSR1TSHRHPGD
SCHEMBL792383 0.70 HRH3 (0.46) ALDH1A1SMN1; SMN2HSD17B10MAPK1KDM4E
SCHEMBL792450 0.70 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2MAPK1POLBNPSR1

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 10 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-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 ALDH1A1 750/4885SMN1; SMN2 4306/4885HSD17B10 1073/4885
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI ALDH1A1 596/4885SMN1; SMN2 4383/4885HSD17B10 905/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI ALDH1A1 596/4885SMN1; SMN2 4383/4885HSD17B10 905/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 ALDH1A1 750/4885SMN1; SMN2 4306/4885HSD17B10 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.