SCHEMBL792549

SCHEMBL792549

CC(=O)c1ccc2c(C)c3n(c2c1)COc1c(C)cccc1-3

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 4/20 0.33
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
S100A4 P26447 1/20 0.32
KDM4E B2RXH2 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
RAD52 P43351 1/20 0.31
AKT1 P31749 1/20 0.31
AKT2 P31751 1/20 0.31
PLA2G7 Q13093 2/20 0.30
PRKDC P78527 1/20 0.30

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
SCHEMBL792538 0.84 MAOA (0.34) MAPTALDH1A1HPGDKDM4EKMT2A
SCHEMBL792066 0.73 MTNR1A (0.47) MAPTKDM4ENPC1RAB9A
SCHEMBL14572847 0.70 MTNR1A (0.32) ALDH1A1KDM4E
SCHEMBL792361 0.69 ALDH1A1 (0.41) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL792496 0.64 GAA (0.41) MAPTALDH1A1HPGDKDM4EMEN1
SCHEMBL792527 0.63 ALDH1A1 (0.41) MAPTALDH1A1NPC1RAB9A
SCHEMBL10884048 0.62 NR1H4 (0.49)
SCHEMBL4891096 0.61 ALDH1A1 (0.43) MAPTALDH1A1HPGDKDM4EMEN1
SCHEMBL10304728 0.61 HSD17B1 (0.53) MAPTALDH1A1HPGDS100A4KMT2A
SCHEMBL8471075 0.61 ALDH1A1 (0.66) MAPTALDH1A1HPGDKDM4EMEN1

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 SLC22A12 2845/4885MAPT 3389/4885ALDH1A1 750/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 SLC22A12 2845/4885MAPT 3389/4885ALDH1A1 750/4885

“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.