SCHEMBL7523501

SCHEMBL7523501

CC(C)(C)c1cc(N=Nc2ccccc2[N+](=O)[O-])c(O)c(C(C)(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
PTPN11 Q06124 5/20 0.40
CES2 O00748 2/20 0.40
ACHE P22303 2/20 0.40
CES1 P23141 2/20 0.40
PLAU P00749 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP3 P42574 1/20 0.38
HTT P42858 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 1/20 0.38
HPGD P15428 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN6 P29350 1/20 0.38

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
SCHEMBL7523500 1.00 NPC1 (0.41) NPC1RAB9APTPN11CES2ACHE
SCHEMBL9007267 0.90 NPC1 (0.44) NPC1RAB9APTPN11CES2ACHE
SCHEMBL9007271 0.90 NPC1 (0.44) NPC1RAB9APTPN11CES2ACHE
SCHEMBL7524143 0.88 KIF18A (0.40) NPC1RAB9AALDH1A1GLAMAPK1
SCHEMBL7524148 0.88 KIF18A (0.40) NPC1RAB9AALDH1A1GLAMAPK1
SCHEMBL6860824 0.85 GPR35 (0.47) NPC1RAB9APTPN11CES2ACHE
SCHEMBL30553824 0.85 GPR35 (0.47) NPC1RAB9APTPN11CES2ACHE
SCHEMBL6860828 0.85 GPR35 (0.47) NPC1RAB9APTPN11CES2ACHE
SCHEMBL7699961 0.84 NPC1 (0.45) NPC1RAB9APTPN11CES2ACHE
SCHEMBL11733347 0.84 NPC1 (0.45) NPC1RAB9APTPN11CES2ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6489383-B1 SUCH AS 2-(2-HYDROXY-3-(1,1-DI(4-2-(BROMOETHOXY)PHENYL) ETHYL)-5-TERT-BUTYLPHENYL)-2H-BENZOTRIAZOLE FOR USE AS STOVING LACQUER, FINISHING ENAMEL FOR AUTOMOBILES CIBA SPECIALTY CHEMICALS CORPORATION 2002-12-03 US disclosed
US-20020169239-A1 2H-benzotriazole UV absorbers substituted with 1,1-diphenylakyl groups and compositions stabilized therewith WOOD MERVIN G (US) 2002-11-14 US disclosed
US-6392056-B1 FOR THERMOPLASTIC RESINS CIBA SPECIALTY CHEMICAL CORPORATION 2002-05-21 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 (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-20020169239-A1 2H-benzotriazole UV absorbers substituted with 1,1-diphenylakyl groups and compositions stabilized therewith SUV39H1, SUV39H2, PAH NPC1 3986/4885RAB9A 4648/4885PTPN11 3864/4885

“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.