SCHEMBL791289

SCHEMBL791289

Cc1ccccc1NC(=O)CN1CCCCC1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.71
KMT2A Q03164 4/20 0.71
MAPT P10636 2/20 0.70
ALDH1A1 P00352 5/20 0.68
HPGD P15428 2/20 0.67
KDM4E B2RXH2 2/20 0.64
RAD52 P43351 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
LMNA P02545 1/20 0.61
MAPK1 P28482 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
GAA P10253 1/20 0.61
NPC1 O15118 1/20 0.60

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
SCHEMBL2096761 0.83 MEN1 (0.73) MEN1KMT2AALDH1A1KDM4ETDP1
Pincainide SCHEMBL2110148 0.83 MEN1 (0.73) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL22407740 0.83 MEN1 (0.73) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL10982718 0.82 NPC1 (0.76) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL10992590 0.82 NPC1 (0.76) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL17976399 0.82 ALDH1A1 (0.68) MEN1KMT2AALDH1A1HPGDKDM4E
Pyrrocaine SCHEMBL25718 0.81 MEN1 (0.70) MEN1KMT2AALDH1A1KDM4ERAD52
SCHEMBL1646961 0.81 ALDH1A1 (1.00) MEN1KMT2AMAPTALDH1A1RAD52
SCHEMBL2555977 0.81 SMN1; SMN2 (0.63) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL2548511 0.81 ALDH1A1 (0.75) MEN1KMT2AALDH1A1HPGDKDM4E

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 6 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
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 MEN1 4753/4885KMT2A 1865/4885MAPT 3389/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 MEN1 4753/4885KMT2A 1865/4885MAPT 3389/4885

“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.