SCHEMBL7085447

SCHEMBL7085447

CC1=CC(N=Nc2ccccc2)C(O)([N+](=O)[O-])C(C(C)(C)C)=C1Cl

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CASP3 P42574 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL7085445 1.00 NPC1 (0.32) NPC1ALDH1A1LMNAMAPTMEN1
SCHEMBL28548694 0.70 HDAC4 (0.30)
SCHEMBL27970251 0.70
SCHEMBL7086931 0.69 ALDH1A1 (0.33) NPC1ALDH1A1LMNAMAPTMEN1
SCHEMBL7086930 0.69 ALDH1A1 (0.33) NPC1ALDH1A1LMNAMAPTMEN1
SCHEMBL28410189 0.68 NPC1 (0.33) NPC1MAPTMEN1KMT2ARAB9A
SCHEMBL28725270 0.64 MEN1 (0.32) NPC1MEN1KMT2ARAB9A
SCHEMBL28800061 0.64 FTO (0.31) NPC1ALDH1A1LMNAMAPTMEN1
SCHEMBL7085065 0.63
SCHEMBL7085063 0.63

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
CN-112538055-A Preparation method of benzotriazole ultraviolet absorbent 西安凯立新材料股份有限公司 2021-03-23 CN disclosed
CN-108148009-B Method for preparing benzotriazole ultraviolet absorbent by adopting catalytic hydrogen transfer method 天津利安隆新材料股份有限公司 2020-05-12 CN 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

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 1433/4885ALDH1A1 376/4885LMNA 1212/4885

“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.