SCHEMBL803590

SCHEMBL803590

COOCc1ccc2c(C3CCCCC3)c(-c3ccccc3NC(=O)CCl)[nH]c2c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 8/20 0.36
ALDH1A1 P00352 5/20 0.34
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
KDM4E B2RXH2 3/20 0.34
PKM P14618 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL13285905 0.92 PARP14 (0.41) PARP14ALDH1A1KMT2AMEN1KDM4E
SCHEMBL10283244 0.90 MEN1 (0.35) ALDH1A1KMT2AMEN1KDM4EPKM
SCHEMBL804017 0.89 HTR2A (0.34) PARP14ALDH1A1KMT2AMEN1
SCHEMBL772032 0.85 PARP1 (0.45) ALDH1A1KMT2AMEN1KDM4EPKM
SCHEMBL13476660 0.82 ALDH1A1 (0.36) PARP14ALDH1A1KMT2AMEN1KDM4E
SCHEMBL13965471 0.82 TUBB4A (0.33) ALDH1A1KDM4E
SCHEMBL803802 0.82 BCHE (0.36) ALDH1A1
SCHEMBL13286269 0.82 HTR2A (0.35) PARP14ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL13285988 0.81 TLR9 (0.37)
SCHEMBL803801 0.81 ABCG2 (0.36) ALDH1A1KMT2AMEN1KDM4ENPSR1

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 PARP14 3151/4885ALDH1A1 750/4885KMT2A 1865/4885

“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.