SCHEMBL11911348

SCHEMBL11911348

COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.76
KMT2A Q03164 6/20 0.76
MEN1 O00255 5/20 0.76
PKM P14618 2/20 0.76
NPC1 O15118 2/20 0.76
HSP90AA1 P07900 1/20 0.76
PAX8 Q06710 1/20 0.76
NPSR1 Q6W5P4 1/20 0.76
RORC P51449 4/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
CYP3A4 P08684 2/20 0.70
MAPK1 P28482 2/20 0.70
PPARG P37231 2/20 0.70
LMNA P02545 2/20 0.70
TP53 P04637 1/20 0.70
CYP1A2 P05177 1/20 0.70
CYP2D6 P10635 1/20 0.70
CYP2C9 P11712 1/20 0.70
TSHR P16473 1/20 0.70
NFKB1 P19838 1/20 0.70

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
SCHEMBL9423772 0.90 MAPT (0.75) MAPTKMT2AMEN1PKMNPC1
SCHEMBL7130609 0.88 RORC (0.84) MAPTKMT2AMEN1PKMNPC1
SCHEMBL27578953 0.88 GAA (0.73) MAPTKMT2AMEN1PKMNPC1
SCHEMBL7120562 0.87 KMT2A (0.82) MAPTKMT2AMEN1PKMNPC1
SCHEMBL7120591 0.87 TAS1R3 (0.70) MAPTKMT2AMEN1PKMNPC1
SCHEMBL7120764 0.86 KMT2A (0.76) MAPTKMT2AMEN1PKMNPC1
SCHEMBL7121705 0.85 RORC (0.80) MAPTKMT2AMEN1PKMNPC1
SCHEMBL18147432 0.85 RORC (0.80) MAPTKMT2AMEN1PKMNPC1
SCHEMBL6097331 0.85 RORC (0.79) MAPTKMT2AMEN1PKMRORC
SCHEMBL3934331 0.85 SMN1; SMN2 (0.64) MAPTKMT2AMEN1PKMNPC1

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 6 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-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

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-20120196865-A1 Acyl Guanidine Derivatives Modulating The Hedgehog Protein Signaling Pathway SHH, GLI1, SMO MAPT 2833/4885KMT2A 2329/4885MEN1 4544/4885

“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.