SCHEMBL4604204

SCHEMBL4604204

Cc1nnnn1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.59
ALDH1A1 P00352 3/20 0.57
IDO1 P14902 1/20 0.51
TDO2 P48775 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MAPT P10636 3/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
CASP3 P42574 1/20 0.49
HTT P42858 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
ABHD16A O95870 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
GFER P55789 1/20 0.48
PKM P14618 1/20 0.48
HPN P05981 1/20 0.48

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
SCHEMBL8673675 0.82 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1IDO1TDO2NPC1
SCHEMBL11199470 0.82 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1IDO1TDO2NPC1
SCHEMBL1187206 0.81 PKM (0.64) SMN1; SMN2ALDH1A1IDO1TDO2NPC1
SCHEMBL12362338 0.77 HPGD (0.51) SMN1; SMN2ALDH1A1NPC1MAPTGAA
SCHEMBL1944810 0.77 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1IDO1TDO2NPC1
SCHEMBL5543153 0.76 NOTUM (0.54) SMN1; SMN2ALDH1A1IDO1TDO2RAB9A
SCHEMBL10053486 0.76 ALDH1A1 (0.70) SMN1; SMN2ALDH1A1IDO1TDO2NPC1
SCHEMBL30774848 0.75 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1IDO1TDO2NPC1
SCHEMBL28698469 0.75 MAPT (0.70) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT
SCHEMBL29145626 0.74 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1IDO1TDO2NPC1

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-20080306067-A1 Modulators of Chemokine Receptor Activity WEIGAND KLAUS 2008-12-11 US disclosed
EP-1943235-A1 ARYLUREA DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Novartis AG (CH) 2008-07-16 EP disclosed
WO-2007048771-A1 ARYLUREA DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY NOVARTIS AG (CH) 2007-05-03 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-20080306067-A1 Modulators of Chemokine Receptor Activity CCR3, CCR1, CCR4 SMN1; SMN2 4305/4885ALDH1A1 906/4885IDO1 1561/4885

“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.