SCHEMBL1728592

SCHEMBL1728592

O=c1n(-c2ccc(O)cc2)ccn1-c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.60
NR1H2 P55055 1/20 0.60
BAX Q07812 1/20 0.60
MGLL Q99685 1/20 0.49
NTRK1 P04629 1/20 0.47
IGF1R P08069 1/20 0.47
FGFR1 P11362 1/20 0.47
NTRK3 Q16288 1/20 0.47
NTRK2 Q16620 1/20 0.47
IDH1 O75874 1/20 0.47
ESR1 P03372 2/20 0.47
ESR2 Q92731 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
BRD4 O60885 1/20 0.46
MCHR1 Q99705 2/20 0.45
MCHR2 Q969V1 1/20 0.45
NPBWR1 P48145 1/20 0.42
GPR84 Q9NQS5 1/20 0.41
PLCG1 P19174 1/20 0.41

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
Bromide SCHEMBL6763251 0.97 LTA4H (0.56) LTA4HNR1H2BAXMGLLNTRK1
SCHEMBL6763254 0.94 LTA4H (0.53) LTA4HNR1H2BAXMGLLNTRK1
SCHEMBL1727656 0.83 LTA4H (0.60) LTA4HMGLLNTRK1IGF1RFGFR1
SCHEMBL1728736 0.83 MAOA (0.60) LTA4HMGLLNTRK1IGF1RFGFR1
SCHEMBL11388402 0.80 MGLL (0.49) LTA4HMGLLNTRK1IGF1RFGFR1
SCHEMBL1729523 0.78 MTNR1A (0.53) MEN1KMT2A
SCHEMBL5376734 0.78 LTA4H (1.00) LTA4HNR1H2BAXESR1ESR2
SCHEMBL5528852 0.78 LTA4H (1.00) LTA4HNR1H2BAXESR1ESR2
SCHEMBL74847 0.78 LTA4H (1.00) LTA4HNR1H2BAXESR1ESR2
SCHEMBL1727501 0.77 LTA4H (0.45) LTA4HMGLLNTRK1IGF1RFGFR1

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 LTA4H 4506/4885NR1H2 122/4885BAX 1786/4885

“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.