SCHEMBL6861280

SCHEMBL6861280

COc1ccc(C(C)(C)c2cc(C(C)(C)C)cc(N=Nc3ccccc3[N+](=O)[O-])c2O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 5/20 0.39
PTPN11 Q06124 4/20 0.39
CES2 O00748 2/20 0.39
ACHE P22303 2/20 0.39
CES1 P23141 2/20 0.39
KMT2A Q03164 3/20 0.38
MAPT P10636 3/20 0.38
GAA P10253 2/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 3/20 0.36
ALDH1A1 P00352 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CYP1A2 P05177 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 1/20 0.36
GPR35 Q9HC97 1/20 0.35

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
SCHEMBL6861279 1.00 NPC1 (0.40) NPC1RAB9ASMN1; SMN2PTPN11CES2
SCHEMBL6862475 0.88 MAPT (0.43) SMN1; SMN2KMT2AMAPTGAALMNA
SCHEMBL6862477 0.88 MAPT (0.43) SMN1; SMN2KMT2AMAPTGAALMNA
SCHEMBL6860541 0.88 NPC1 (0.41) NPC1RAB9ASMN1; SMN2PTPN11CES2
SCHEMBL6860536 0.88 NPC1 (0.41) NPC1RAB9ASMN1; SMN2PTPN11CES2
SCHEMBL9007271 0.85 NPC1 (0.44) NPC1RAB9ASMN1; SMN2PTPN11CES2
SCHEMBL9007267 0.85 NPC1 (0.44) NPC1RAB9ASMN1; SMN2PTPN11CES2
SCHEMBL6860824 0.84 GPR35 (0.47) NPC1RAB9ASMN1; SMN2PTPN11CES2
SCHEMBL30553824 0.84 GPR35 (0.47) NPC1RAB9ASMN1; SMN2PTPN11CES2
SCHEMBL6860828 0.84 GPR35 (0.47) NPC1RAB9ASMN1; SMN2PTPN11CES2

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-6800676-B2 ULTRAVIOLET RADIATION ABSORBERS; HEAT AND OXIDATION RESISTANCE CIBA SPECIALTY CHEMICALS CORPORATION 2004-10-05 US disclosed
US-20030004235-A1 Benzotriazoles containing phenyl groups substituted by heteroatoms and compositions stabilized therewith CIBA SPECIALTY CHEMICALS CORP. 2003-01-02 US disclosed
US-6451887-B1 Benzotriazoles containing α-cumyl groups substituted by heteroatoms and compositions stabilized therewith CIBA SPECIALTY CHEMICALS CORPORATION 2002-09-17 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-20030004235-A1 Benzotriazoles containing phenyl groups substituted by heteroatoms and compositions stabilized therewith SUV39H1, SUV39H2, TPST2 NPC1 4353/4885RAB9A 4479/4885SMN1; SMN2 2918/4885

“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.