SCHEMBL4725115

SCHEMBL4725115

N#Cc1cccc(N=C(NO)c2ccco2)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 12/20 0.43
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41
NOS2 P35228 2/20 0.41
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
HTT P42858 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP2C19 P33261 2/20 0.39
USP2 O75604 1/20 0.39
CYP3A4 P08684 1/20 0.39
MEP1A Q16819 1/20 0.39
MEP1B Q16820 1/20 0.39
CYP1A2 P05177 1/20 0.38
MAPK1 P28482 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
SCHEMBL4727833 0.79 IDO1 (0.43) IDO1NOS1MAPTALDH1A1MEP1A
SCHEMBL4725738 0.79 IDO1 (0.49) IDO1
SCHEMBL4729480 0.77 IDO1 (0.41) IDO1ALDH1A1
SCHEMBL4725112 0.73 ALDH1A1 (0.51) IDO1MEN1GAAMAPTKMT2A
SCHEMBL4725111 0.73 ALDH1A1 (0.51) IDO1MEN1GAAMAPTKMT2A
SCHEMBL4980796 0.72 IDO1 (0.57) IDO1MAPTHTT
SCHEMBL2520953 0.72 IDO1 (0.70) IDO1MAPTHTT
SCHEMBL4726890 0.70 IDO1 (0.58) IDO1MEN1GAAMAPTKMT2A
SCHEMBL4782177 0.70 ALDH1A1 (0.41) IDO1GAAMAPTHTTALDH1A1
SCHEMBL21799345 0.68 PRSS1 (0.54) NOS3NOS1KMT2AALDH1A1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080146624-A1 AMIDINES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2008-06-19 US claimed
WO-2008036652-A2 AMIDINES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2008-03-27 WO claimed
US-20080146624-A1 AMIDINES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2008-06-19 US disclosed
US-20080146624-A1 AMIDINES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2008-06-19 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-20080146624-A1 AMIDINES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, INMT IDO1 1/4885NOS3 111/4885NOS1 242/4885

“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.