SCHEMBL792361

SCHEMBL792361

CC(=O)c1ccc2c(C)c3n(c2c1)CCc1c-3cccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MAPT P10636 4/20 0.40
MAPK1 P28482 4/20 0.40
PKM P14618 1/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
AKR1C3 P42330 2/20 0.39
SLC6A9 P48067 1/20 0.39
SLC6A5 Q9Y345 1/20 0.39
AKR1C1 Q04828 1/20 0.39
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CNR1 P21554 1/20 0.37
GFER P55789 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 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
SCHEMBL792066 0.78 MTNR1A (0.47) MAPTMAPK1PKMNPC1RAB9A
SCHEMBL14572847 0.78 MTNR1A (0.32) ALDH1A1POLB
SCHEMBL792549 0.69 SLC22A12 (0.33) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL792466 0.69 HCAR3 (0.39) ALDH1A1
SCHEMBL792496 0.65 GAA (0.41) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL792527 0.64 ALDH1A1 (0.41) ALDH1A1MAPTMAPK1NPC1RAB9A
SCHEMBL9310402 0.63 ALDH1A1 (0.62) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL17197463 0.62 NOTUM (0.55) ALDH1A1MAPTMEN1KMT2AAKR1C3
SCHEMBL30780024 0.62 ALDH1A1 (1.00) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL54610 0.62 ALDH1A1 (1.00) ALDH1A1MAPTMAPK1MEN1KMT2A

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 3 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-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

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 750/4885MAPT 3389/4885MAPK1 1154/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 ALDH1A1 750/4885MAPT 3389/4885MAPK1 1154/4885

“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.