SCHEMBL7085958

SCHEMBL7085958

CCC(C)(C)c1cc(-n2nc3ccccc3[n+]2[O-])c(O)c(C(C)(C)CC)c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.30
MITF O75030 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
UBE2N P61088 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL9460246 0.86
SCHEMBL9460454 0.84 NPC1 (0.39) NPC1RAB9AMAPK1SMN1; SMN2
SCHEMBL9182116 0.84 NPC1 (0.40) NPC1RAB9AMEN1MAPTMAPK1
SCHEMBL9460463 0.81 NPC1 (0.38) NPC1RAB9A
SCHEMBL7525387 0.80 NPC1 (0.37) NPC1RAB9A
SCHEMBL29350743 0.78 NPC1 (0.45) NPC1RAB9AMEN1MITFMAPT
SCHEMBL39146 0.78 NPC1 (0.45) NPC1RAB9AMEN1MITFMAPT
SCHEMBL586578 0.77 NPC1 (0.44) NPC1RAB9AMEN1MAPTMAPK1
SCHEMBL27600005 0.77 NPC1 (0.44) NPC1RAB9AMEN1MAPTMAPK1
SCHEMBL11457333 0.77 NPC1 (0.44) NPC1RAB9AMEN1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1351944-A1 METHOD FOR PREPARING 2-(2-HYDROXYPHENYL)-2H-BENZOTRIAZOLE LG Chem Ltd. (KR) 2003-10-15 EP disclosed
US-6559316-B2 Reacting o-nitrophenylazohydroxyphenyl compound with hydrazine hydrate; reduction in presence of water, zinc powder, and sulfuric acid with/without phase transfer catalyst LG CHEM, LTD. (KR) 2003-05-06 US disclosed
US-20030050480-A1 METHOD FOR PREPARING 2-(2-HYRDROXYPHENYL)-2H-BENZOTRIAZOLE LG CHEM, LTD. (KR) 2003-03-13 US disclosed
WO-2002055508-A1 METHOD FOR PREPARING 2-(2-HYDROXYPHENYL)-2H-BENZOTRIAZOLE LG CHEM, LTD. (KR) 2002-07-18 WO disclosed
EP-0380840-B1 Method of preparing 2-phenylbenzotriazoles CHEMIPRO KASEI KAISHA LTD (JP) 1995-05-17 EP disclosed
US-5262541-A Reaction with sugar as a reducing agent FAIRMONT CHEMICAL COMPANY, INC. (US) 1993-11-16 US disclosed
US-5217990-A Antiallergens, antiinflammatory agents BOEHRINGER MANNHEIM GMBH (DE) 1993-06-08 US disclosed
EP-0263905-B1 METHOD FOR PREPARING 2-PHENYLBENZOTRIAZOLES AND 2-PHENYLBENZOTRIAZOLE-N-OXIDES CHEMIPRO KASEI KAISHA, LTD. (JP) 1992-04-15 EP disclosed
US-5104992-A METHOD OF PREPARING 2-PHENYL BENEZOTHRIAZOLES CHEMIPRO KASEI KAISHA, LTD. (JP) 1992-04-14 US disclosed
EP-0259530-B1 METHOD FOR PREPARING 2-PHENYLBENZOTRIAZOLES AND 2-PHENYLBENZOTRIAZOLE-N-OXIDES CHEMIPRO KASEI KAISHA LTD (JP) 1992-04-08 EP disclosed
EP-0257151-B1 METHOD FOR PREPARING 2-PHENYLBENZOTRIAZOLES AND 2-PHENYLBENZOTRIAZOLE-N-OXIDES CHEMIPRO KASEI KAISHA, LTD. (JP) 1992-01-29 EP disclosed
EP-0380840-A1 Method of preparing 2-phenylbenzotriazoles CHEMIPRO KASEI KAISHA, LTD. (JP) 1990-08-08 EP disclosed
US-4943637-A Method for preparing 2-phenylbenzotriazoles CHEMIPRO KASEI KAISHA, LTD. (JP) 1990-07-24 US disclosed
US-4835284-A Method for preparing 2-phenylbenzotriazoles and 2-phenylbenzotriazole-N-oxides CHEMIPRO KASEI KAISHA, LTD. (JP) 1989-05-30 US disclosed
US-4780541-A Method for preparing 2-phenylbenzotriazoles and 2-phenylbenzotriazole-N-oxides CHEMIPRO KASEI KAISHA, LTD. (JP) 1988-10-25 US disclosed
EP-0263905-A1 Method for preparing 2-phenylbenzotriazoles and 2-phenylbenzotriazole-N-oxides CHEMIPRO KASEI KAISHA, LTD. (JP) 1988-04-20 EP disclosed
EP-0259530-A1 Method for preparing 2-phenylbenzotriazoles and 2-phenylbenzotriazole-N-oxides CHEMIPRO KASEI KAISHA, LTD. (JP) 1988-03-16 EP disclosed
EP-0257151-A1 Method for preparing 2-phenylbenzotriazoles and 2-phenylbenzotriazole-N-oxides CHEMIPRO KASEI KAISHA, LTD. (JP) 1988-03-02 EP 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-20030050480-A1 METHOD FOR PREPARING 2-(2-HYRDROXYPHENYL)-2H-BENZOTRIAZOLE CYP8B1, CYP4Z1, CBR1 NPC1 1433/4885RAB9A 4742/4885MEN1 4054/4885

“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.