SCHEMBL8304969

SCHEMBL8304969

c1cc(-c2cc3ccccc3[nH]2)cc(-c2cc3ccccc3[nH]2)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.80
RAB9A P51151 6/20 0.80
MEN1 O00255 5/20 0.65
KMT2A Q03164 5/20 0.65
POLB P06746 1/20 0.65
KDM4E B2RXH2 5/20 0.63
MAPT P10636 5/20 0.63
ALDH1A1 P00352 4/20 0.63
HPGD P15428 3/20 0.63
CASP3 P42574 2/20 0.63
SENP8 Q96LD8 2/20 0.63
SENP7 Q9BQF6 2/20 0.63
SENP6 Q9GZR1 2/20 0.63
CYP1A2 P05177 2/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63
CYP19A1 P11511 3/20 0.62
VCP P55072 3/20 0.55
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54

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
SCHEMBL28461746 0.94 NPC1 (0.78) NPC1RAB9AMEN1KMT2APOLB
2-Phenyl-1H-Indole SCHEMBL341378 0.89 NPC1 (1.00) NPC1RAB9AMEN1KMT2APOLB
2-Phenyl-1H-Indole SCHEMBL29363616 0.89 NPC1 (1.00) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL30315804 0.87 NPC1 (0.67) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL3628278 0.87 NPC1 (0.67) NPC1RAB9AMEN1KMT2APOLB
2-Phenyl-1H-Indole SCHEMBL28844905 0.87 NPC1 (0.96) NPC1RAB9AMEN1KMT2APOLB
2-Phenyl-1H-Indole SCHEMBL6529483 0.87 NPC1 (0.96) NPC1RAB9AMEN1KMT2APOLB
2-Phenyl-1H-Indole SCHEMBL29642295 0.87 NPC1 (0.96) NPC1RAB9AMEN1KMT2APOLB
2-Phenyl-1H-Indole SCHEMBL11652520 0.87 NPC1 (0.96) NPC1RAB9AMEN1KMT2APOLB
2-Phenyl-1H-Indole SCHEMBL29788796 0.87 NPC1 (0.96) NPC1RAB9AMEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9637425-B2 NCN trianionic pincer complexes as catalysts for olefin polymerization and isomerization UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2017-05-02 US disclosed
US-9637425-B2 NCN trianionic pincer complexes as catalysts for olefin polymerization and isomerization UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2017-05-02 US disclosed
US-20130289326-A1 NCN TRIANIONIC PINCER COMPLEXES AS CATALYSTS FOR OLEFIN POLYMERIZATION AND ISOMERIZATION NATIONAL SCIENCE FOUNDATION 2013-10-31 US disclosed
US-20130289326-A1 NCN TRIANIONIC PINCER COMPLEXES AS CATALYSTS FOR OLEFIN POLYMERIZATION AND ISOMERIZATION NATIONAL SCIENCE FOUNDATION 2013-10-31 US disclosed
EP-0650599-B1 METHOD OF COLORIMETRIC ANALYSIS OF MALONIC DIALDEHYDE AND 4-HYDROXY-2-ENALDEHYDES AS INDEXES OF LIPID PEROXIDATION, KITS FOR CARRYING OUT SAID METHOD, SUBSTITUTED INDOLES FOR USE IN SAID METHOD AND THEIR PREPARATION OXIS ISLE OF MAN LIMITED (GB) 1999-11-03 EP disclosed
US-5726063-A Method of colorimetric analysis of malonic dialdehyde and 4-hydroxy-2-enaldehydes as indexes of lipid peroxidation, kits for carrying out said method, substituted indoles for use in said method and their preparation OXIS ISLE OF MAN, LIMITED (US) 1998-03-10 US disclosed
EP-0650599-A1 METHOD OF COLORIMETRIC ANALYSIS OF MALONIC DIALDEHYDE AND 4-HYDROXY-2-ENALDEHYDES AS INDEXES OF LIPID PEROXIDATION, KITS FOR CARRYING OUT SAID METHOD, SUBSTITUTED INDOLES FOR USE IN SAID METHOD AND THEIR PREPARATION OXIS INTERNATIONAL S.A. (FR) 1995-05-03 EP disclosed
WO-1994027155-A1 METHOD OF COLORIMETRIC ANALYSIS OF MALONIC DIALDEHYDE AND 4-HYDROXY-2-ENALDEHYDES AS INDEXES OF LIPID PEROXIDATION, KITS FOR CARRYING OUT SAID METHOD, SUBSTITUTED INDOLES FOR USE IN SAID METHOD AND THEIR PREPARATION BIOXYTECH (FR) 1994-11-24 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-20130289326-A1 NCN TRIANIONIC PINCER COMPLEXES AS CATALYSTS FOR OLEFIN POLYMERIZATION AND ISOMERIZATION PNN, NCAPH, NCLN NPC1 275/4885RAB9A 4036/4885MEN1 3908/4885

“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.