SCHEMBL429229

SCHEMBL429229

N=C(NO)c1ccc(OCc2ccccc2)cc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 1/20 0.50
PARP10 Q53GL7 1/20 0.50
NOX1 Q9Y5S8 1/20 0.50
MAOB P27338 7/20 0.49
MAOA P21397 1/20 0.47
SMPD1 P17405 1/20 0.47
ALOX5 P09917 1/20 0.46
CTSV O60911 1/20 0.46
CTSL P07711 1/20 0.46
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
PTGS1 P23219 1/20 0.45
SLC6A2 P23975 1/20 0.45
CYP2C19 P33261 1/20 0.45
PTGS2 P35354 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HIF1A Q16665 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
MEN1 O00255 1/20 0.43
NPC1 O15118 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
SCHEMBL21914815 0.83 MAOB (0.52) PARP15PARP10NOX1MAOBMAOA
SCHEMBL12689533 0.83 PARP10 (0.55) PARP15PARP10MAOBMAOAALOX5
Hydrochloric Acid SCHEMBL1485404 0.82 PARP15 (0.54) PARP15PARP10MAOBMAOA
SCHEMBL2997270 0.81 MAOB (0.62) PARP15PARP10NOX1MAOBMAOA
Hydrochloric Acid SCHEMBL9015457 0.80 MAOB (0.61) PARP15PARP10NOX1MAOBMAOA
SCHEMBL27683488 0.80 MAOB (0.61) PARP15PARP10NOX1MAOBMAOA
SCHEMBL2989798 0.79 MAOB (0.57) PARP15PARP10NOX1MAOBMAOA
SCHEMBL176858 0.78 MAOB (0.59) PARP15PARP10NOX1MAOBMAOA
SCHEMBL19041491 0.77 PARP10 (0.50) PARP15PARP10NOX1MAOBMAOA
SCHEMBL9015450 0.77 MAOB (0.59) PARP15PARP10NOX1MAOBMAOA

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-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US disclosed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US disclosed
EP-1688420-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2006-08-09 EP 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-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI PARP15 756/4885PARP10 2428/4885NOX1 752/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI PARP15 756/4885PARP10 2428/4885NOX1 752/4885

“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.