SCHEMBL6703435

SCHEMBL6703435

N=C(N)[CH]Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.52
IDO1 P14902 3/20 0.50
NOS3 P29474 2/20 0.50
NOS2 P35228 2/20 0.50
MAOB P27338 1/20 0.50
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
ARG2 P78540 1/20 0.43
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
F2 P00734 1/20 0.42
F10 P00742 1/20 0.42
F12 P00748 1/20 0.42
F7 P08709 1/20 0.42
F3 P13726 1/20 0.42
PKM P14618 1/20 0.42
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41

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
SCHEMBL295277 0.79 MAOB (0.48) NOS1IDO1NOS3NOS2MAOB
SCHEMBL1520215 0.77 MAOB (0.58) NOS1IDO1NOS3NOS2MAOB
SCHEMBL27640145 0.76 MAOB (0.44) NOS1IDO1NOS3NOS2MAOB
SCHEMBL1072789 0.73 MAOB (0.52) NOS1IDO1NOS3NOS2MAOB
SCHEMBL442434 0.73 MAOB (0.52) MAOBCA1CA2ARG2CYP2D6
SCHEMBL1892258 0.73 MAOB (0.52) NOS1IDO1NOS3NOS2MAOB
SCHEMBL3345536 0.71 HTT (0.41) NOS1MAOBCYP2D6NPC1RAB9A
SCHEMBL6700723 0.71 IDO1 (0.45) NOS1IDO1NOS3NOS2MAOB
Allylbenzene SCHEMBL11064978 0.71 IDO1 (0.45) NOS1IDO1NOS3NOS2MAOB
SCHEMBL27630839 0.71 IDO1 (0.45) NOS1IDO1NOS3NOS2MAOB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040024000-A1 Dihydropyrimidine derivatives as cysteine protease inhibitors NAEJA PHARMACEUTICAL INC. (CA) 2004-02-05 US claimed
EP-1326848-A1 DIHYDROPYRIMIDINE DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS Naeja Pharmaceutical Inc. (CA) 2003-07-16 EP claimed
WO-2002032879-A1 DIHYDROPYRIMIDINE DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS NAEJA PHARMACEUTICAL INC. (CA) 2002-04-25 WO claimed
US-20040024000-A1 Dihydropyrimidine derivatives as cysteine protease inhibitors NAEJA PHARMACEUTICAL INC. (CA) 2004-02-05 US disclosed
EP-1326848-A1 DIHYDROPYRIMIDINE DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS Naeja Pharmaceutical Inc. (CA) 2003-07-16 EP disclosed
WO-2002032879-A1 DIHYDROPYRIMIDINE DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS NAEJA PHARMACEUTICAL INC. (CA) 2002-04-25 WO 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-20040024000-A1 Dihydropyrimidine derivatives as cysteine protease inhibitors DPEP1, DNPEP, PEPD NOS1 4287/4885IDO1 1892/4885NOS3 4308/4885

“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.