SCHEMBL5369936

SCHEMBL5369936

Nc1cccc(OCc2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.67
APP P05067 1/20 0.65
MAOA P21397 3/20 0.54
PTPN2 P17706 1/20 0.54
PTPN1 P18031 1/20 0.54
PTPRB P23467 1/20 0.54
PTPN6 P29350 1/20 0.54
PTPN11 Q06124 1/20 0.54
MRGPRX4 Q96LA9 1/20 0.53
IDO1 P14902 1/20 0.50
TP53 P04637 1/20 0.49
CYP3A4 P08684 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
SCHEMBL4640143 0.86 MAOB (0.76) MAOBAPPMAOAMRGPRX4IDO1
SCHEMBL31172140 0.86 MAOB (0.76) MAOBAPPMAOAMRGPRX4IDO1
SCHEMBL10335673 0.85 MAOB (0.65) MAOBMAOAPTPN2PTPN1PTPRB
SCHEMBL4639708 0.84 MAOB (0.66) MAOBAPPPTPN2PTPN1PTPRB
SCHEMBL15833208 0.83 MAOB (0.72) MAOBMAOAPTPN2PTPN1PTPRB
SCHEMBL12953497 0.83 MAOB (0.64) MAOBAPPPTPN2PTPN1PTPRB
SCHEMBL4639599 0.82 MAOB (0.55) MAOBAPPMRGPRX4TP53CYP3A4
SCHEMBL810623 0.82 MAOB (0.72) MAOBAPPMAOATP53CYP3A4
SCHEMBL791923 0.81 MAOB (0.69) MAOBAPPMAOAPTPN2PTPN1
SCHEMBL18797716 0.81 MAOB (0.60) MAOBMAOAPTPN2PTPN1PTPRB

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113264874-B Substituted diaryl urea derivative and preparation method and application thereof 华东理工大学 2024-12-03 CN disclosed
US-20210253594-A1 OXADIAZOLOPYRAZINES AND OXADIAZOLOPYRIDINES USEFUL AS MITOCHONDRIAL UNCOUPLERS VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. 2021-08-19 US disclosed
US-20210253594-A1 OXADIAZOLOPYRAZINES AND OXADIAZOLOPYRIDINES USEFUL AS MITOCHONDRIAL UNCOUPLERS VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. 2021-08-19 US disclosed
EP-3781572-A1 OXADIAZOLOPYRAZINES AND OXADIAZOLOPYRIDINES USEFUL AS MITOCHONDRIAL UNCOUPLERS Virginia Tech Intellectual Properties, Inc. (US) 2021-02-24 EP disclosed
WO-2019204813-A1 OXADIAZOLOPYRAZINES AND OXADIAZOLOPYRIDINES USEFUL AS MITOCHONDRIAL UNCOUPLERS VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2019-10-24 WO disclosed
WO-2019204813-A1 OXADIAZOLOPYRAZINES AND OXADIAZOLOPYRIDINES USEFUL AS MITOCHONDRIAL UNCOUPLERS VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2019-10-24 WO disclosed
US-7262318-B2 Substituted heteroaryl- and phenylsulfamoyl compounds PFIZER, INC. (US) 2007-08-28 US disclosed
CN-1930121-A Substituted heteroaryl- and phenylsulfamoyl compounds PFIZER PROD INC (US) 2007-03-14 CN disclosed
US-20060258723-A1 Substituted Heteroaryl- and Phenylsulfamoyl Compounds PFIZER INC 2006-11-16 US disclosed
US-20050228015-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PFIZER INC 2005-10-13 US 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 (3 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-20050228015-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PPARA, PPARG, PPARD MAOB 4263/4885APP 2597/4885MAOA 4248/4885
US-20210253594-A1 OXADIAZOLOPYRAZINES AND OXADIAZOLOPYRIDINES USEFUL AS MITOCHONDRIAL UNCOUPLERS NDUFAF1, OXA1L, GLS2 MAOB 2632/4885APP 3695/4885MAOA 3545/4885
US-20060258723-A1 Substituted Heteroaryl- and Phenylsulfamoyl Compounds PPARG, PPARA, PPARD MAOB 4396/4885APP 3056/4885MAOA 4272/4885

“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.