SCHEMBL7086750

SCHEMBL7086750

O=[N+]([O-])c1ccccc1/N=N/c1[c]cccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 5/20 0.50
PLAU P00749 1/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
CYP1A2 P05177 1/20 0.43
HPGD P15428 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
CCNT1 O60563 1/20 0.42
CCNB2 O95067 1/20 0.42
CCNE2 O96020 1/20 0.42
CDK1 P06493 1/20 0.42
CDK4 P11802 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNA2 P20248 1/20 0.42
CCND1 P24385 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
CDK7 P50613 1/20 0.42

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
SCHEMBL7086751 0.84 PTPN11 (0.50) PTPN11PLAUNPC1RAB9ASMN1; SMN2
SCHEMBL5838346 0.81 NPC1 (0.59) PTPN11PLAUNPC1RAB9ASMN1; SMN2
SCHEMBL24213305 0.81 NPC1 (0.59) PTPN11PLAUNPC1RAB9ASMN1; SMN2
SCHEMBL5838349 0.81 NPC1 (0.59) PTPN11PLAUNPC1RAB9ASMN1; SMN2
SCHEMBL592655 0.77 PTPN11 (0.59) PTPN11PLAUNPC1RAB9ASMN1; SMN2
SCHEMBL592657 0.77 PTPN11 (0.59) PTPN11PLAUNPC1RAB9ASMN1; SMN2
SCHEMBL7538891 0.76 PLAU (0.46) PTPN11PLAUNPC1RAB9ASMN1; SMN2
Nitrophenolate SCHEMBL27457258 0.75 NPC1 (0.59) PTPN11PLAUNPC1RAB9ASMN1; SMN2
SCHEMBL7538896 0.73 ALDH1A1 (0.40) PLAUNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL9801440 0.72 PLAU (0.56) PTPN11PLAUNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2134370-A None JP disclosed
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
US-5571924-A Process for the preparation of benzotriazoles CIBA-GEIGY CORPORATION (US) 1996-11-05 US disclosed
US-5276161-A Catalytic hydrogenation of o-nitrophenylazohydroxyphenyl compounds; noble metal catalyst and organic amine CIBA-GEIGY CORPORATION (US) 1994-01-04 US disclosed
US-4999433-A Process for the preparation of benzotriazole derivatives CIBA-GEIGY CORPORATION (US) 1991-03-12 US disclosed
JP-H02134370-A PRODUCTION OF BENZOTRIAZOLE DERIVATIVE CIBA GEIGY AG 1990-05-23 JP 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 PTPN11 2902/4885PLAU 3762/4885NPC1 1433/4885

“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.