SCHEMBL804239

SCHEMBL804239

CCCCOc1ccc(C[C@H](N)c2nccs2)cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 3/20 0.46
SLC2A1 P11166 1/20 0.42
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
CYP1A2 P05177 1/20 0.40
PKM P14618 1/20 0.39
ACACB O00763 1/20 0.38

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
SCHEMBL792960 0.80 LTA4H (0.53) LMNAMAPTRAB9ACYP1A2
SCHEMBL20177203 0.80 KDM4E (0.40) CYP2D6LMNARAB9ACYP1A2PKM
Hydrochloric Acid SCHEMBL772237 0.79 LTA4H (0.52) LMNAMAPTRAB9ACYP1A2
SCHEMBL19257973 0.78 RAD52 (0.46) CYP3A4LMNARAB9A
Hydrochloric Acid SCHEMBL20586638 0.77 RAD52 (0.45) CYP3A4LMNARAB9A
Hydrochloric Acid SCHEMBL19209193 0.77 RAD52 (0.45) CYP3A4LMNARAB9A
SCHEMBL4379883 0.76 EPHX1 (0.44) CYP2D6CYP1A2PKM
SCHEMBL6685124 0.76 EPHX1 (0.44) CYP2D6CYP1A2PKM
SCHEMBL8143963 0.76 EPHX1 (0.44) CYP2D6CYP1A2PKM
Hydrochloric Acid SCHEMBL22691671 0.75 EPHX1 (0.42) CYP3A4CYP2D6CYP1A2PKM

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 PLA2G4A 4040/4885SLC2A1 4374/4885CYP3A4 1341/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 PLA2G4A 4040/4885SLC2A1 4374/4885CYP3A4 1341/4885

“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.