SCHEMBL792960

SCHEMBL792960

N[C@@H](Cc1ccc(OCc2ccccc2)cc1)c1nccs1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.53
LAP3 P28838 1/20 0.47
MAOB P27338 2/20 0.47
CTSA P10619 1/20 0.46
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
MAOA P21397 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PPARG P37231 2/20 0.44
PPARA Q07869 2/20 0.44
ALOX5 P09917 2/20 0.44
SYK P43405 1/20 0.44
BCHE P06276 1/20 0.43
FFAR1 O14842 2/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43

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
Hydrochloric Acid SCHEMBL772237 0.99 LTA4H (0.52) LTA4HLAP3MAOBCTSAGAA
SCHEMBL4379883 0.87 EPHX1 (0.44) CTSAMAOACYP1A2PTGS1SLC6A2
SCHEMBL6685124 0.87 EPHX1 (0.44) CTSAMAOACYP1A2PTGS1SLC6A2
SCHEMBL8143963 0.87 EPHX1 (0.44) CTSAMAOACYP1A2PTGS1SLC6A2
Hydrochloric Acid SCHEMBL22691671 0.86 EPHX1 (0.42) CTSAGAAMAOASMN1; SMN2L3MBTL1
Hydrochloric Acid SCHEMBL22691669 0.86 EPHX1 (0.42) CTSAGAAMAOASMN1; SMN2L3MBTL1
SCHEMBL2808151 0.82 PDPK1 (0.46) CTSAGAAMAPTSMN1; SMN2
SCHEMBL27538931 0.81 CTSA (0.46) LTA4HLAP3MAOBCTSAMAPT
SCHEMBL27538929 0.81 CTSA (0.51) LTA4HLAP3MAOBCTSAMAPT
SCHEMBL804239 0.80 PLA2G4A (0.46) MAPTRAB9ALMNACYP1A2

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 LTA4H 3551/4885LAP3 288/4885MAOB 2789/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 LTA4H 3551/4885LAP3 288/4885MAOB 2789/4885

“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.