SCHEMBL3460321

SCHEMBL3460321

O=C(Nc1ccccc1)Nc1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 3/20 0.73
CXCR1 P25024 2/20 0.73
MEN1 O00255 11/20 0.71
KMT2A Q03164 11/20 0.71
MAPT P10636 8/20 0.71
LMNA P02545 5/20 0.71
CA12 O43570 1/20 0.71
CA1 P00915 1/20 0.71
CA2 P00918 1/20 0.71
CA9 Q16790 1/20 0.71
MAPK1 P28482 2/20 0.67
POLB P06746 2/20 0.67
TP53 P04637 1/20 0.65
CYP1A2 P05177 1/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2D6 P10635 1/20 0.65
CYP2C9 P11712 1/20 0.65
PKM P14618 1/20 0.65
TSHR P16473 1/20 0.65
NFKB1 P19838 1/20 0.65

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
SCHEMBL3460730 0.89 CXCR2 (0.73) CXCR2CXCR1MEN1KMT2AMAPT
SCHEMBL32689896 0.86 CA12 (0.71) CXCR2CXCR1MEN1KMT2AMAPT
SCHEMBL4548109 0.86 CA12 (0.71) CXCR2CXCR1MEN1KMT2AMAPT
SCHEMBL5595042 0.84 CXCR2 (1.00) CXCR2CXCR1MEN1KMT2AMAPT
SCHEMBL15133011 0.84 CA12 (0.69) CXCR2CXCR1MEN1KMT2AMAPT
SCHEMBL673216 0.83 CA2 (1.00) CXCR2CXCR1MEN1KMT2AMAPT
Diphenylurea SCHEMBL27302793 0.82 MEN1 (0.81) CXCR2CXCR1MEN1KMT2AMAPT
SCHEMBL402139 0.82 MAPT (0.77) MEN1KMT2AMAPTLMNAMAPK1
SCHEMBL5595180 0.82 CXCR2 (1.00) CXCR2CXCR1MEN1KMT2AMAPT
SCHEMBL31222305 0.82 CXCR2 (1.00) CXCR2CXCR1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889678-B2 Acyl guanidine derivatives modulating the hedgehog protein signaling pathway CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-11-18 US disclosed
US-8889678-B2 Acyl guanidine derivatives modulating the hedgehog protein signaling pathway CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-11-18 US disclosed
EP-2456754-B1 ACYL GUANIDINE DERIVATIVES MODULATING THE HEDGEHOG PROTEIN SIGNALING PATHWAY UNIV STRASBOURG (FR) 2014-02-26 EP disclosed
US-20120196865-A1 Acyl Guanidine Derivatives Modulating The Hedgehog Protein Signaling Pathway UNIVERSITE DE STRASBOURG (FR) 2012-08-02 US disclosed
US-20120196884-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORPORATION (FI) 2012-08-02 US disclosed
US-20120196884-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORPORATION (FI) 2012-08-02 US disclosed
US-20120196865-A1 Acyl Guanidine Derivatives Modulating The Hedgehog Protein Signaling Pathway UNIVERSITE DE STRASBOURG (FR) 2012-08-02 US disclosed
WO-2011010013-A1 ACYL GUANIDINE DERIVATIVES MODULATING THE HEDGEHOG PROTEIN SIGNALING PATHWAY CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-01-27 WO disclosed
WO-2010146236-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORP. (FI) 2010-12-23 WO disclosed
WO-2010146236-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORP. (FI) 2010-12-23 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 (2 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-20120196865-A1 Acyl Guanidine Derivatives Modulating The Hedgehog Protein Signaling Pathway SHH, GLI1, SMO CXCR2 2250/4885CXCR1 2850/4885MEN1 4544/4885
US-20120196884-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES ITGA1, ITGB1, ITGA2B CXCR2 125/4885CXCR1 290/4885MEN1 4730/4885

“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.