SCHEMBL4606178

SCHEMBL4606178

Cc1nc(-c2cccc([N+](=O)[O-])c2)n(C(=O)OC(C)(C)C)c1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
PKM P14618 2/20 0.57
MAPT P10636 8/20 0.42
RAB9A P51151 4/20 0.42
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALOX5 P09917 1/20 0.42
AMY1A P0DUB6 1/20 0.41
NR3C2 P08235 1/20 0.41
TSHR P16473 1/20 0.40
ACHE P22303 1/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
THRB P10828 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
RECQL P46063 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PTGS2 P35354 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4D Q08499 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
SCHEMBL4606694 0.83 ALDH1A1 (0.60) ALDH1A1PKMMAPTRAB9ANPC1
SCHEMBL4606532 0.81 SMN1; SMN2 (0.43) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL31226734 0.79 ALDH1A1 (0.45) ALDH1A1PKMMAPTRAB9ANPC1
SCHEMBL20501018 0.78 ALDH1A1 (0.44) ALDH1A1PKMMAPTRAB9ANPC1
SCHEMBL8824809 0.78 ALDH1A1 (0.49) ALDH1A1PKMMAPTRAB9ANPC1
SCHEMBL23213140 0.77 ALDH1A1 (0.48) ALDH1A1PKMMAPTRAB9ANPC1
SCHEMBL27740422 0.77 ALDH1A1 (0.57) ALDH1A1PKMMAPTRAB9ANPC1
SCHEMBL29796135 0.77 ALDH1A1 (0.48) ALDH1A1PKMMAPTRAB9ANPC1
SCHEMBL13426427 0.75 PDE4B (0.47) ALDH1A1PKMMAPTRAB9ANPC1
SCHEMBL28645084 0.74 ALDH1A1 (0.49) ALDH1A1PKMMAPTRAB9ANPC1

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 ALDH1A1 906/4885PKM 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.