SCHEMBL6031344

SCHEMBL6031344

Oc1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3cccc4ccccc34)n2)c(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.50
ESR2 Q92731 4/20 0.50
ALOX5 P09917 3/20 0.46
CYP17A1 P05093 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
DHODH Q02127 1/20 0.44
NQO2 P16083 1/20 0.44
CYP1A2 P05177 1/20 0.44
MCL1 Q07820 1/20 0.42
ACMSD Q8TDX5 1/20 0.42
TLR8 Q9NR97 1/20 0.42
NTRK1 P04629 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
ALK Q9UM73 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL6030742 1.00 ESR1 (0.50) ESR1ESR2ALOX5CYP17A1CYP3A4
SCHEMBL13851817 0.87 ALOX5 (0.44) ESR1ESR2ALOX5MEN1KMT2A
SCHEMBL13851819 0.87 ALOX5 (0.44) ESR1ESR2ALOX5MEN1KMT2A
SCHEMBL15147215 0.86 ESR1 (0.53) ESR1ESR2ALOX5CYP3A4MEN1
SCHEMBL6030531 0.85 CYP1A2 (0.56) MEN1KMT2ACYP1A2NTRK1POLB
SCHEMBL631769 0.85 ALOX5 (0.56) ESR1ESR2ALOX5CYP17A1CYP3A4
SCHEMBL18913903 0.83 SMN1; SMN2 (0.57) ESR1ESR2ALOX5MEN1KMT2A
SCHEMBL15147233 0.83 KMT2A (0.45) MEN1KMT2ACYP1A2MCL1ACMSD
SCHEMBL13851823 0.82 ALDH1A1 (0.41) ESR1ESR2ALOX5CYP17A1CYP3A4
SCHEMBL12914336 0.81 ALDH1A1 (0.47) CYP3A4CYP11B2CYP1A2GAAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1463774-B1 NAPHTHYLTRIAZINES AS STABILIZERS FOR ORGANIC MATERIAL BASF SE (DE) 2013-07-31 EP disclosed
EP-1463774-B1 NAPHTHYLTRIAZINES AS STABILIZERS FOR ORGANIC MATERIAL BASF SE (DE) 2013-07-31 EP disclosed
US-7087753-B2 Naphthyltriazines as stabilizers for organic material CIBA SPECIALTY CHEMICALS CORP. (US) 2006-08-08 US disclosed
US-20050169859-A1 Naphthyltriazines as stabilizers for organic material TOAN VIEN V (CH) 2005-08-04 US disclosed
US-20050038245-A1 Naphthyltriazines as stabilizers for organic material CIBA SPECIALTY CHEMICALS CORP. 2005-02-17 US disclosed
EP-1463774-A1 NAPHTHYLTRIAZINES AS STABILIZERS FOR ORGANIC MATERIAL Ciba SC Holding AG (CH) 2004-10-06 EP disclosed
WO-2003035734-A1 NAPHTHYLTRIAZINES AS STABILIZERS FOR ORGANIC MATERIAL CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-05-01 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 (2 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-20050038245-A1 Naphthyltriazines as stabilizers for organic material POT1, TYR, H1-2 ESR1 852/4885ESR2 715/4885ALOX5 3138/4885
US-20050169859-A1 Naphthyltriazines as stabilizers for organic material POT1, H1-2, TYR ESR1 1006/4885ESR2 626/4885ALOX5 3153/4885

“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.