SCHEMBL6534331

SCHEMBL6534331

Clc1ccc(-c2cc(Cl)c3ccccc3n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ESRRB O95718 1/20 0.54
ESR1 P03372 1/20 0.54
ESRRA P11474 1/20 0.54
ESR2 Q92731 1/20 0.54
ACP1 P24666 2/20 0.52
ACHE P22303 1/20 0.51
ALOX5 P09917 1/20 0.51
DHODH Q02127 2/20 0.50
MAPT P10636 2/20 0.50
KDM4E B2RXH2 2/20 0.50
TP53 P04637 1/20 0.50
THRB P10828 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PTGES O14684 1/20 0.50
MAPK1 P28482 2/20 0.49

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
SCHEMBL30592743 0.91 DHODH (0.58) SMN1; SMN2ESRRBESR1ESRRAESR2
SCHEMBL785473 0.91 ACHE (0.61) SMN1; SMN2ESRRBESR1ESRRAESR2
SCHEMBL29793367 0.91 ACHE (0.61) SMN1; SMN2ESRRBESR1ESRRAESR2
SCHEMBL5795122 0.86 ESRRB (0.51) ESRRBESR1ESRRAESR2ACP1
SCHEMBL6001382 0.86 CYP19A1 (0.60) NPC1RAB9ASMN1; SMN2ESRRBESR1
SCHEMBL6534330 0.86 ALDH1A1 (0.60) NPC1RAB9ASMN1; SMN2ESRRBESR1
SCHEMBL16099161 0.86 ACACA (0.62) NPC1RAB9ASMN1; SMN2ACP1ACHE
SCHEMBL6001658 0.84 MAPK1 (0.59) NPC1RAB9ASMN1; SMN2ESRRBESR1
SCHEMBL6534510 0.84 MAPK1 (0.55) SMN1; SMN2ESRRBESR1ESRRAESR2
SCHEMBL6534274 0.84 MEN1 (0.53) ESRRBESR1ESRRAESR2ACP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10179770-B2 Quinolines derivatives as novel anticancer agents GENOSCIENCE PHARMA (FR) 2019-01-15 US disclosed
US-10179770-B2 Quinolines derivatives as novel anticancer agents GENOSCIENCE PHARMA (FR) 2019-01-15 US disclosed
CN-105102442-B Quinoline as anticarcinogen 基因科学医药公司 2018-11-09 CN disclosed
EP-2976333-B1 QUINOLINES DERIVATIVES AS NOVEL ANTICANCER AGENTS GENOSCIENCE PHARMA SAS (FR) 2018-08-08 EP disclosed
EP-2976333-B1 QUINOLINES DERIVATIVES AS NOVEL ANTICANCER AGENTS GENOSCIENCE PHARMA SAS (FR) 2018-08-08 EP disclosed
US-20160280653-A1 QUINOLINES DERIVATIVES AS NOVEL ANTICANCER AGENTS GENOSCIENCE PHARMA (FR) 2016-09-29 US disclosed
US-20160280653-A1 QUINOLINES DERIVATIVES AS NOVEL ANTICANCER AGENTS GENOSCIENCE PHARMA (FR) 2016-09-29 US disclosed
US-20160280653-A1 QUINOLINES DERIVATIVES AS NOVEL ANTICANCER AGENTS GENOSCIENCE PHARMA (FR) 2016-09-29 US disclosed
EP-2976333-A1 QUINOLINES DERIVATIVES AS NOVEL ANTICANCER AGENTS Genoscience Pharma SAS (FR) 2016-01-27 EP disclosed
WO-2014147611-A1 QUINOLINES DERIVATIVES AS NOVEL ANTICANCER AGENTS GENOSCIENCE PHARMA (FR) 2014-09-25 WO disclosed
WO-2014147611-A1 QUINOLINES DERIVATIVES AS NOVEL ANTICANCER AGENTS GENOSCIENCE PHARMA (FR) 2014-09-25 WO disclosed
CN-1181059-C Quinoline-4-base deviative I - 2004-12-22 CN disclosed
EP-1088818-B1 Quinolin-4-yl derivatives HOFFMANN LA ROCHE (CH) 2004-11-03 EP disclosed
US-6440995-B1 NMDA-RECEPTOR SUBTYPE SELECTIVE BLOCKERS HOFFMAN-LA ROCHE INC. 2002-08-27 US disclosed
CN-1290698-A Quinoline-4-base deviative I HOFFMANN LA ROCHE (CH) 2001-04-11 CN disclosed
EP-1088818-A1 Quinolin-4-yl derivatives F. HOFFMANN-LA ROCHE AG (CH) 2001-04-04 EP disclosed
CN-85106626-A The preparation of 4-amino-2-phenyl-quinoline 1987-03-25 CN disclosed
EP-0168812-A1 4-Amino-2-phenyl quinolines, methods and intermediates for their preparation and medicaments containing them F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1986-01-22 EP disclosed
US-4560692-A ANTICONVULSANTS OR ANXIOLYTIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1985-12-24 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-10179770-B2 Quinolines derivatives as novel anticancer agents NQO2, MKI67, NQO1 NPC1 633/4885RAB9A 1316/4885SMN1; SMN2 3931/4885
US-20160280653-A1 QUINOLINES DERIVATIVES AS NOVEL ANTICANCER AGENTS NQO2, MKI67, NQO1 NPC1 633/4885RAB9A 1316/4885SMN1; SMN2 3931/4885

“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.