SCHEMBL1728642

SCHEMBL1728642

CN(C)CCNc1ccc(-n2ccn(-c3ccc(Oc4ccccc4)cc3)c2=O)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
NPSR1 Q6W5P4 1/20 0.50
KMT2A Q03164 6/20 0.46
MEN1 O00255 4/20 0.46
MAPT P10636 7/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
POLB P06746 1/20 0.41
RAD52 P43351 1/20 0.41
MAPK1 P28482 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
HTT P42858 1/20 0.41
BDKRB1 P46663 1/20 0.40
MCHR1 Q99705 1/20 0.38

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
SCHEMBL1727390 0.84 MCHR1 (0.39) KMT2AMEN1SMN1; SMN2RAD52MCHR1
SCHEMBL9725552 0.78 ALDH1A1 (0.52) ALDH1A1NPSR1KMT2AMEN1MAPT
SCHEMBL6713153 0.77 NPSR1 (0.52) ALDH1A1NPSR1KMT2AMEN1MAPT
SCHEMBL1727379 0.76 MAPT (0.42) ALDH1A1NPSR1KMT2AMEN1MAPT
SCHEMBL9725417 0.73 ALDH1A1 (0.67) ALDH1A1NPSR1KMT2AMEN1MAPT
SCHEMBL1727393 0.72 LTA4H (0.52) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL1728669 0.72 LTA4H (0.68) ALDH1A1SMN1; SMN2POLBMCHR1
SCHEMBL972656 0.70 ALDH1A1 (0.65) ALDH1A1NPSR1KMT2AMEN1MAPT
SCHEMBL29504306 0.70 ALDH1A1 (0.65) ALDH1A1NPSR1KMT2AMEN1MAPT
SCHEMBL9725410 0.69 ALDH1A1 (0.72) ALDH1A1NPSR1KMT2AMEN1MAPT

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
EP-1551810-B1 DIARYL-SUBSTITUTED CYCLIC UREA DERIVATIVES HAVING AN MCH-MODULATORY EFFECT SANOFI AVENTIS DEUTSCHLAND (DE) 2011-11-30 EP disclosed
US-7141561-B2 Substituted diaryl heterocycles, process for their preparation and their use as medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-11-28 US disclosed
EP-1551810-A1 DIARYL-SUBSTITUTED CYCLIC UREA DERIVATIVES HAVING AN MCH-MODULATORY EFFECT Aventis Pharma Deutschland GmbH (DE) 2005-07-13 EP disclosed
US-20040132752-A1 Substituted diaryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-07-08 US disclosed
WO-2004012648-A2 SUBSTITUTED DIARYL HETEROCYCLES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-02-12 WO disclosed
WO-2004011438-A1 DIARYL-SUBSTITUTED CYCLIC UREA DERIVATIVES HAVING AN MCH-MODULATORY EFFECT AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-02-05 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-20040132752-A1 Substituted diaryl heterocycles, process for their preparation and their use as medicaments GPR119, GLP1R, SLC5A2 ALDH1A1 1096/4885NPSR1 186/4885KMT2A 1148/4885

“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.