SCHEMBL4606332

SCHEMBL4606332

Cn1nnnc1-c1cc(-c2ccccc2)cc([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
PKM P14618 1/20 0.51
MAPT P10636 5/20 0.49
LMNA P02545 4/20 0.49
HTT P42858 3/20 0.49
MITF O75030 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.43
KEAP1 Q14145 2/20 0.42
NFE2L2 Q16236 2/20 0.42
ALDH1A1 P00352 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
ACLY P53396 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PIP4K2C Q8TBX8 1/20 0.40
THRB P10828 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL4429016 0.85 KEAP1 (0.53) SMN1; SMN2PKMMAPTLMNAHTT
SCHEMBL1740624 0.83 TSHR (0.50) SMN1; SMN2PKMMAPTLMNAHTT
SCHEMBL13225987 0.81 SMN1; SMN2 (0.46) SMN1; SMN2PKMMAPTLMNAHTT
SCHEMBL584214 0.81 SMN1; SMN2 (0.46) SMN1; SMN2PKMMAPTLMNAHTT
SCHEMBL4604452 0.80 SMN1; SMN2 (0.43) SMN1; SMN2PKMMAPTLMNAHTT
SCHEMBL4604449 0.79 SMN1; SMN2 (0.50) SMN1; SMN2MAPTHTTALDH1A1ACLY
SCHEMBL1674067 0.78 PTGS2 (0.57) SMN1; SMN2PKMMAPTLMNAHTT
SCHEMBL6670428 0.78 ALDH1A1 (0.51) SMN1; SMN2PKMMAPTLMNAHTT
SCHEMBL7452483 0.78 ACLY (0.53) SMN1; SMN2MAPTLMNAHTTL3MBTL1
SCHEMBL13225981 0.77 SMN1; SMN2 (0.43) SMN1; SMN2PKMMAPTLMNAHTT

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-20080306067-A1 Modulators of Chemokine Receptor Activity WEIGAND KLAUS 2008-12-11 US disclosed
CN-101296911-A Arylurea derivatives as modulators of chemokine receptor activity NOVARTIS AG (CH) 2008-10-29 CN 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 4305/4885PKM 4217/4885MAPT 4557/4885

“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.