SCHEMBL1727656

SCHEMBL1727656

COc1ccc(-n2ccn(-c3ccc(Oc4ccccc4)cc3)c2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.60
NTRK1 P04629 2/20 0.52
IGF1R P08069 2/20 0.52
FGFR1 P11362 2/20 0.52
NTRK2 Q16620 2/20 0.52
MGLL Q99685 2/20 0.49
FAAH O00519 1/20 0.48
ALDH1A1 P00352 2/20 0.47
NTRK3 Q16288 1/20 0.47
ABCB1 P08183 2/20 0.47
MAPT P10636 3/20 0.47
CA4 P22748 1/20 0.47
LMNA P02545 1/20 0.46
MCHR2 Q969V1 1/20 0.45
MCHR1 Q99705 1/20 0.45
PGR P06401 1/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL11388402 0.83 MGLL (0.49) LTA4HNTRK1IGF1RFGFR1NTRK2
SCHEMBL1728736 0.83 MAOA (0.60) LTA4HNTRK1IGF1RFGFR1NTRK2
SCHEMBL11394965 0.83 ALDH1A1 (0.44) LTA4HNTRK1IGF1RFGFR1NTRK2
SCHEMBL1728592 0.83 LTA4H (0.60) LTA4HNTRK1IGF1RFGFR1NTRK2
Bromide SCHEMBL6763251 0.81 LTA4H (0.56) LTA4HNTRK1IGF1RFGFR1NTRK2
SCHEMBL6763254 0.78 LTA4H (0.53) LTA4HNTRK1IGF1RFGFR1NTRK2
SCHEMBL1729523 0.78 MTNR1A (0.53) ALDH1A1MAPTPGRMEN1HTT
SCHEMBL491503 0.78 LTA4H (1.00) LTA4HALDH1A1MAPTCA4PGR
SCHEMBL17283659 0.78 LTA4H (1.00) LTA4HALDH1A1MAPTCA4PGR
SCHEMBL14280098 0.77 ALDH1A1 (0.47) MGLLALDH1A1MAPTLMNAMEN1

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 4506/4885NTRK1 1659/4885IGF1R 1146/4885

“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.