SCHEMBL792388

SCHEMBL792388

COCc1cc(N2CCCC2=O)ccc1N1CCN(CC(=O)N(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 3/20 0.39
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
HPGD P15428 3/20 0.37
ALDH1A1 P00352 3/20 0.37
F10 P00742 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
PTK2 Q05397 1/20 0.36
GAA P10253 2/20 0.36

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
SCHEMBL792370 0.84 MAPT (0.41) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL791757 0.80 TP53 (0.37) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL792080 0.79 ALDH1A1 (0.48) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL792369 0.79 L3MBTL1 (0.42) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL29130956 0.71 ALDH1A1 (0.42) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL18250784 0.71 GFER (0.46) KDM4EMEN1KMT2ALMNAHPGD
SCHEMBL10293459 0.71 HPGD (0.50) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL792377 0.70 ALDH1A1 (0.48) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL792383 0.68 HRH3 (0.46) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL10293480 0.68 L3MBTL1 (0.44) KDM4EMEN1KMT2ALMNATSHR

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 MAPT 3389/4885KDM4E 2725/4885MEN1 4753/4885
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI MAPT 4033/4885KDM4E 1520/4885MEN1 4807/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI MAPT 4033/4885KDM4E 1520/4885MEN1 4807/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 MAPT 3389/4885KDM4E 2725/4885MEN1 4753/4885

“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.