SCHEMBL1337652

SCHEMBL1337652

COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.77
NPC1 O15118 4/20 0.77
RAB9A P51151 4/20 0.77
ALDH1A1 P00352 4/20 0.77
KMT2A Q03164 7/20 0.70
MEN1 O00255 6/20 0.70
LMNA P02545 4/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
NFKB1 P19838 2/20 0.70
NFKB2 Q00653 2/20 0.70
RELA Q04206 2/20 0.70
TP53 P04637 2/20 0.68
PKM P14618 2/20 0.68
POLB P06746 1/20 0.68
BLM P54132 1/20 0.68
MAPK1 P28482 1/20 0.67
HTT P42858 1/20 0.67
KCNK9 Q9NPC2 1/20 0.67
KDM4E B2RXH2 1/20 0.66
TDP1 Q9NUW8 1/20 0.66

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
SCHEMBL9329754 0.89 MEN1 (0.85) MAPTNPC1RAB9AALDH1A1KMT2A
SCHEMBL1337428 0.88 MEN1 (0.76) MAPTNPC1RAB9AALDH1A1KMT2A
SCHEMBL9799681 0.88 MEN1 (0.79) MAPTNPC1RAB9AALDH1A1KMT2A
SCHEMBL1986154 0.87 KMT2A (0.74) MAPTNPC1RAB9AALDH1A1KMT2A
SCHEMBL9423144 0.87 MAPT (1.00) MAPTNPC1RAB9AALDH1A1KMT2A
SCHEMBL8710919 0.86 MEN1 (0.80) MAPTNPC1RAB9AALDH1A1KMT2A
SCHEMBL4254145 0.86 MEN1 (0.80) MAPTNPC1RAB9AALDH1A1KMT2A
SCHEMBL16430753 0.84 MEN1 (0.63) MAPTNPC1RAB9AALDH1A1KMT2A
SCHEMBL13265910 0.84 MAPT (0.58) MAPTNPC1RAB9AALDH1A1KMT2A
SCHEMBL11572673 0.83 MEN1 (0.76) MAPTNPC1RAB9AALDH1A1KMT2A

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
EP-2291352-B1 N-ACYLTHIOUREA AND N-ACYLUREA INHIBITORS OF THE HEDGEHOG PROTEIN SIGNALLING PATHWAY CENTRE NAT RECH SCIENT (FR) 2017-09-13 EP disclosed
EP-2291352-B1 N-ACYLTHIOUREA AND N-ACYLUREA INHIBITORS OF THE HEDGEHOG PROTEIN SIGNALLING PATHWAY CENTRE NAT RECH SCIENT (FR) 2017-09-13 EP disclosed
US-9073835-B2 N-acylthiourea and N-acylurea inhibitors of the Hedgehog protein signalling pathway CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-07-07 US disclosed
US-9073835-B2 N-acylthiourea and N-acylurea inhibitors of the Hedgehog protein signalling pathway CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-07-07 US disclosed
US-9073835-B2 N-acylthiourea and N-acylurea inhibitors of the Hedgehog protein signalling pathway CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-07-07 US disclosed
US-20110275663-A1 N-Acylthiourea and N-Acylurea Inhibitors of the Hedgehog Protein Signalling Pathway CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-11-10 US disclosed
US-20110275663-A1 N-Acylthiourea and N-Acylurea Inhibitors of the Hedgehog Protein Signalling Pathway CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-11-10 US disclosed
EP-2291352-A2 N-ACYLTHIOUREA AND N-ACYLUREA INHIBITORS OF THE HEDGEHOG PROTEIN SIGNALLING PATHWAY Centre National de la Recherche Scientifique (FR) 2011-03-09 EP disclosed
WO-2009130422-A2 N-ACYLTHIOUREA AND N-ACYLUREA INHIBITORS OF THE HEDGEHOG PROTEIN SIGNALLING PATHWAY CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2009-10-29 WO disclosed
WO-2009130422-A2 N-ACYLTHIOUREA AND N-ACYLUREA INHIBITORS OF THE HEDGEHOG PROTEIN SIGNALLING PATHWAY CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2009-10-29 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-20110275663-A1 N-Acylthiourea and N-Acylurea Inhibitors of the Hedgehog Protein Signalling Pathway SHH, GLI1, SMO MAPT 2839/4885NPC1 857/4885RAB9A 1454/4885

“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.