SCHEMBL1728640

SCHEMBL1728640

COC(CNc1ccc(OCc2ccccc2)cc1)OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
TP53 P04637 1/20 0.55
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
BLM P54132 1/20 0.55
ATM Q13315 1/20 0.55
AR P10275 4/20 0.52
HPGD P15428 1/20 0.52
ALDH1A1 P00352 2/20 0.51
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
F2 P00734 2/20 0.50
LTA4H P09960 1/20 0.50
BCHE P06276 2/20 0.49
LMNA P02545 1/20 0.49
PTGS1 P23219 1/20 0.49

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
SCHEMBL8565150 0.85 AR (0.52) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL1728835 0.81 HPGD (0.47) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL931749 0.80 MAPT (0.56) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL13624261 0.79 LTA4H (0.54) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL6376293 0.79 AR (0.62) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL28274981 0.79 LMNA (0.56) NPC1RAB9ASMN1; SMN2GAAMAPT
SCHEMBL9483568 0.78 SMN1; SMN2 (0.59) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL7387095 0.78 LTA4H (0.62) RAB9ASMN1; SMN2MEN1KMT2ATP53
Hydrochloric Acid SCHEMBL28494253 0.78 AR (0.60) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL6427556 0.77 KMT2A (0.60) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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 NPC1 410/4885RAB9A 2213/4885SMN1; SMN2 3972/4885

“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.