SCHEMBL791963

SCHEMBL791963

COCc1cccc(N2CCCC2=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2C9 P11712 2/20 0.54
HPGD P15428 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
CACNA2D1 P54289 3/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
GAA P10253 1/20 0.51
PARP1 P09874 3/20 0.51
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
BRD4 O60885 1/20 0.49
BRDT Q58F21 1/20 0.49
HSD17B10 Q99714 1/20 0.48
TSHR P16473 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL7902998 0.84 ALOX5 (0.59) ALDH1A1CYP3A4CYP2C9HPGDCYP1A2
SCHEMBL12656576 0.82 ALDH1A1 (0.53) ALDH1A1HPGDMEN1KMT2ATSHR
SCHEMBL14465930 0.81 PARP1 (0.57) ALDH1A1CYP3A4CYP2C9HPGDCYP1A2
SCHEMBL12813163 0.81 ALDH1A1 (0.57) ALDH1A1CYP3A4CYP2C9HPGDCYP1A2
SCHEMBL5604853 0.81 ALDH1A1 (0.61) ALDH1A1CYP3A4CYP2C9HPGDCYP1A2
SCHEMBL12666620 0.80 ALDH1A1 (0.54) ALDH1A1CYP3A4CYP2C9HPGDCYP1A2
SCHEMBL10159797 0.80 ALDH1A1 (0.54) ALDH1A1CYP3A4CYP2C9HPGDCYP1A2
Hydrochloric Acid SCHEMBL4234404 0.79 ALDH1A1 (0.56) ALDH1A1CYP3A4CYP2C9HPGDCYP1A2
SCHEMBL22702092 0.79 ALOX5 (0.55) ALDH1A1CYP3A4CYP2C9HPGDCYP1A2
SCHEMBL30655304 0.79 NPC1 (0.56) ALDH1A1CYP3A4CYP2C9HPGDCYP1A2

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 7 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-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-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 (2 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 750/4885CYP3A4 1341/4885CYP2C9 976/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 ALDH1A1 750/4885CYP3A4 1341/4885CYP2C9 976/4885

“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.