SCHEMBL6573464

SCHEMBL6573464

COc1cc(O)c2ncccc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.65
L3MBTL1 Q9Y468 5/20 0.65
NPC1 O15118 4/20 0.65
RAB9A P51151 4/20 0.65
KMT2A Q03164 6/20 0.58
MEN1 O00255 5/20 0.58
MAPT P10636 2/20 0.58
CYP1A2 P05177 1/20 0.55
ALDH1A1 P00352 2/20 0.52
MMP2 P08253 1/20 0.52
CHRM1 P11229 1/20 0.52
TSHR P16473 1/20 0.52
COMT P21964 1/20 0.52
ADRA1A P35348 1/20 0.52
METAP2 P50579 1/20 0.52
METAP1 P53582 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
TDP1 Q9NUW8 3/20 0.50
CASP6 P55212 2/20 0.50
HTT P42858 2/20 0.50

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
Mequinol SCHEMBL2168295 0.94 KDM4E (0.67) KDM4EL3MBTL1NPC1RAB9AKMT2A
SCHEMBL13219481 0.81 CYP1A2 (0.52) KDM4EL3MBTL1KMT2AMEN1MAPT
SCHEMBL1556194 0.81 CYP1A2 (0.52) KDM4EL3MBTL1NPC1RAB9AKMT2A
SCHEMBL4810431 0.81 CYP1A2 (0.52) KDM4EL3MBTL1KMT2AMEN1MAPT
SCHEMBL29828916 0.81 CYP1A2 (0.52) KDM4EL3MBTL1KMT2AMEN1MAPT
SCHEMBL11808148 0.80 COMT (0.61) KDM4EL3MBTL1NPC1RAB9AMAPT
SCHEMBL3563100 0.79 KMT2A (0.55) KDM4EL3MBTL1KMT2AMEN1MAPT
SCHEMBL454942 0.79 CYP1A2 (0.55) KDM4EL3MBTL1RAB9AKMT2AMEN1
SCHEMBL5773989 0.79 CYP1A2 (0.51) KDM4EL3MBTL1NPC1RAB9AKMT2A
SCHEMBL13737213 0.79 KMT2A (0.64) KDM4EL3MBTL1KMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9028562-B2 Dye composition using a 2-hydroxynaphthalene, (acylamino)phenol or quinoline coupler in a fatty-substance-rich medium, dyeing process and device therefor L'OREAL (FR) 2015-05-12 US disclosed
US-9028562-B2 Dye composition using a 2-hydroxynaphthalene, (acylamino)phenol or quinoline coupler in a fatty-substance-rich medium, dyeing process and device therefor L'OREAL (FR) 2015-05-12 US disclosed
US-20140041133-A1 DYE COMPOSITION USING A 2-HYDROXYNAPHTHALENE, (ACYLAMINO)PHENOL OR QUINOLINE COUPLER IN A FATTY-SUBSTANCE-RICH MEDIUM, DYEING PROCESS AND DEVICE THEREFOR L'OREAL (FR) 2014-02-13 US disclosed
US-20140041133-A1 DYE COMPOSITION USING A 2-HYDROXYNAPHTHALENE, (ACYLAMINO)PHENOL OR QUINOLINE COUPLER IN A FATTY-SUBSTANCE-RICH MEDIUM, DYEING PROCESS AND DEVICE THEREFOR L'OREAL (FR) 2014-02-13 US disclosed
CN-100408575-C Aryl-8-azabicyclo[3,2,1]octanes for treating depression WYETH CORP (US) 2008-08-06 CN disclosed
EP-1390364-B1 ARYL-8-AZABICYCLO 3.2.1]OCTANES FOR THE TREATMENT OF DEPRESSION WYETH CORP (US) 2004-09-29 EP disclosed
CN-1509287-A Aryl-8-azabicyclo[3,2,1]octanes for treating depression 2004-06-30 CN disclosed
EP-1390364-A1 ARYL-8-AZABICYCLO 3.2.1]OCTANES FOR THE TREATMENT OF DEPRESSION Wyeth (US) 2004-02-25 EP disclosed
US-6632824-B2 Have the ability to act at the 5-HT transporter. WYETH 2003-10-14 US disclosed
US-20030032645-A1 Aryl-8-azabicyclo [3.2.1] octanes for the treatment of depression WYETH 2003-02-13 US disclosed
WO-2002096906-A1 ARYL-8-AZABICYCLO[3.2.1]OCTANES FOR THE TREATMENT OF DEPRESSION WYETH (US) 2002-12-05 WO disclosed
US-6399335-B1 MIXING POLYMERASE AND NUCLEOSIDE TRIPHOSPHATE HAVING A GAMMA PHOSPHATE PHOSPHOESTER-LINKED FUNCTIONAL GROUP, INCUBATING SO THAT POLYMERASE CATALYZES CLEAVAGE BETWEEN ALPHA AND BETA PHOSPHATES AND LIBERATES PYROPHOSPHATE WITH FUNCTIONAL GROUP ADVANCED RESEARCH AND TECHNOLOGY INSTITUTE, INC. 2002-06-04 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 (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-20140041133-A1 DYE COMPOSITION USING A 2-HYDROXYNAPHTHALENE, (ACYLAMINO)PHENOL OR QUINOLINE COUPLER IN A FATTY-SUBSTANCE-RICH MEDIUM, DYEING PROCESS AND DEVICE THEREFOR HADHB, HADH, FABP4 KDM4E 1743/4885L3MBTL1 4792/4885NPC1 3508/4885
US-20030032645-A1 Aryl-8-azabicyclo [3.2.1] octanes for the treatment of depression HTR1A, HTR1D, HTR2C KDM4E 404/4885L3MBTL1 4800/4885NPC1 853/4885

“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.