SCHEMBL4604452

SCHEMBL4604452

Cn1nnnc1-c1cc(C(=O)O)cc([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.43
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
TP53 P04637 1/20 0.40
MAPT P10636 3/20 0.39
MAPK1 P28482 1/20 0.39
PKM P14618 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 2/20 0.38
MITF O75030 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 3/20 0.37
RECQL P46063 1/20 0.37
CHEK1 O14757 1/20 0.37
DAPK3 O43293 1/20 0.37
GRK5 P34947 1/20 0.37
LIMK1 P53667 1/20 0.37
CYP3A4 P08684 1/20 0.36
MEN1 O00255 2/20 0.36

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
SCHEMBL4604673 0.86 MEN1 (0.45) SMN1; SMN2MAPTMAPK1LMNAHTT
SCHEMBL4604051 0.86 ALDH1A1 (0.42) SMN1; SMN2MAPTL3MBTL1ALDH1A1MEN1
SCHEMBL583822 0.84 NPC1 (0.55) SMN1; SMN2MAPTMITFALDH1A1MEN1
SCHEMBL4605870 0.83 SMN1; SMN2 (0.38) SMN1; SMN2MAPTL3MBTL1LMNAHTT
SCHEMBL1740624 0.82 TSHR (0.50) SMN1; SMN2KEAP1NFE2L2MAPTPKM
SCHEMBL4606332 0.80 SMN1; SMN2 (0.51) SMN1; SMN2KEAP1NFE2L2MAPTPKM
SCHEMBL13225987 0.80 SMN1; SMN2 (0.46) SMN1; SMN2KEAP1NFE2L2MAPTPKM
SCHEMBL584214 0.80 SMN1; SMN2 (0.46) SMN1; SMN2KEAP1NFE2L2MAPTPKM
SCHEMBL4606507 0.79 SMN1; SMN2 (0.43) SMN1; SMN2MAPTPKML3MBTL1LMNA
SCHEMBL4603388 0.78 SMN1; SMN2 (0.47) SMN1; SMN2LMNAALDH1A1MEN1KMT2A

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 4305/4885KEAP1 1197/4885NFE2L2 1691/4885

“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.