SCHEMBL4929418

SCHEMBL4929418

O=[N+]([O-])c1ccc(Cl)cc1Nc1ccccn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
MAPT P10636 5/20 0.57
NPC1 O15118 4/20 0.57
ALDH1A1 P00352 3/20 0.57
KDM4E B2RXH2 3/20 0.57
LMNA P02545 3/20 0.57
RAB9A P51151 2/20 0.57
MITF O75030 2/20 0.57
PDE7A Q13946 2/20 0.53
MAPK1 P28482 2/20 0.53
TDP2 O95551 1/20 0.53
HSP90AA1 P07900 1/20 0.53
CASP3 P42574 1/20 0.53
BLM P54132 1/20 0.53
CASP7 P55210 1/20 0.53
CASP9 P55211 1/20 0.53
CASP6 P55212 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
PKM P14618 1/20 0.51

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
SCHEMBL31220848 0.89 MEN1 (0.73) MEN1KMT2AMAPTNPC1ALDH1A1
SCHEMBL31220847 0.89 MEN1 (0.73) MEN1KMT2AMAPTNPC1ALDH1A1
SCHEMBL31220868 0.84 MEN1 (0.67) MEN1KMT2AMAPTNPC1ALDH1A1
SCHEMBL19062115 0.83 MEN1 (0.61) MEN1KMT2AMAPTNPC1ALDH1A1
SCHEMBL11900688 0.83 MEN1 (0.61) MEN1KMT2AMAPTNPC1ALDH1A1
SCHEMBL6832746 0.83 MEN1 (0.61) MEN1KMT2AMAPTNPC1ALDH1A1
SCHEMBL4810409 0.82 MEN1 (0.71) MEN1KMT2AMAPTNPC1ALDH1A1
SCHEMBL29744982 0.82 MEN1 (0.71) MEN1KMT2AMAPTNPC1ALDH1A1
SCHEMBL31495149 0.78 MAPT (0.50) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL13503122 0.78 AHR (0.53) MEN1KMT2AMAPTALDH1A1LMNA

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-20080021069-A1 Receptor Function Regulating Agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 US disclosed
EP-1810677-A1 RECEPTOR FUNCTION REGULATING AGENT Takeda Pharmaceutical Company Limited (JP) 2007-07-25 EP disclosed
US-5661169-A HAVE AFFINITY FOR VASOPRESSIN AND/OR OXYTOCIN RECEPTORS SANOFI (FR) 1997-08-26 US disclosed
US-5585394-A INHIBITOR, ANTAGONIST OF VASOPRESSIN OR OXYTOCIN SANOFI (FR) 1996-12-17 US disclosed
EP-0694536-A1 1-Benzyl-1,3-dihydro-2H-benzimidazol-2-one derivatives, their preparation and pharmaceutical compositions containing them SANOFI (FR) 1996-01-31 EP disclosed
EP-0636614-A1 Derivatives of 1-benzenesulfonyl-1,3-dihydro-2H-benzimidazol-2-one, their preparation and pharmaceutical compositions containing them SANOFI (FR) 1995-02-01 EP 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-20080021069-A1 Receptor Function Regulating Agent GPR119, INSR, GPR65 MEN1 4097/4885KMT2A 1963/4885MAPT 4574/4885

“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.