SCHEMBL1607926

SCHEMBL1607926

CCOc1ccc2cc(Br)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.52
LMNA P02545 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CYP1A2 P05177 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
NCEH1 Q6PIU2 1/20 0.47
CYP2A6 P11509 1/20 0.46
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46
CYP19A1 P11511 1/20 0.46

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
SCHEMBL5780373 0.96 L3MBTL1 (0.49) NQO1LMNAL3MBTL1AKR1C3AKR1C2
SCHEMBL29629327 0.87 NQO1 (0.68) NQO1L3MBTL1AKR1C3AKR1C2CA12
SCHEMBL3825385 0.87 NQO1 (0.68) NQO1L3MBTL1AKR1C3AKR1C2CA12
SCHEMBL30334792 0.84 CA12 (0.50) LMNAL3MBTL1AKR1C2CA12CA1
SCHEMBL1608519 0.84 CA12 (0.50) LMNAL3MBTL1AKR1C2CA12CA1
SCHEMBL4057003 0.84 CA12 (0.50) LMNAL3MBTL1CA12CA1CA6
SCHEMBL4063865 0.83 NCF1 (0.57) LMNAL3MBTL1NCEH1MAOBMAPT
SCHEMBL23458226 0.82 NQO1 (0.62) NQO1L3MBTL1AKR1C3AKR1C2CA12
SCHEMBL3821099 0.82 NQO1 (0.62) NQO1L3MBTL1AKR1C3AKR1C2CA12
SCHEMBL29779700 0.82 NQO1 (0.62) NQO1L3MBTL1AKR1C3AKR1C2CA12

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1853261-B1 SELECTIVE INHIBITORS OF HUMAN CORTICOSTEROID SYNTHASES UNIV SAARLAND (DE) 2017-01-11 EP disclosed
US-8071598-B2 3,9-diazabicyclo[3.3.1]nonane derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2011-12-06 US disclosed
EP-2318420-A1 SOLUTION PROCESSABLE ORGANIC SEMICONDUCTORS 3M Innovative Properties Company (US) 2011-05-11 EP disclosed
US-20110079775-A1 Solution Processable Organic Semiconductors 3M INNOVATIVE PROPERTIES COMPANY 2011-04-07 US disclosed
US-20100160333-A1 NOVEL 3,9-DIAZABICYCLO[3.3.1]NONANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS ANIONA APS (DK) 2010-06-24 US disclosed
US-7704991-B2 Substituted diazabicyclo derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2010-04-27 US disclosed
US-7700596-B2 3,9-diazabicyclo[3.3.1]nonane derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2010-04-20 US disclosed
WO-2009154877-A1 SOLUTION PROCESSABLE ORGANIC SEMICONDUCTORS 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-12-23 WO disclosed
EP-2065383-A1 Indazole compounds and methods of use thereof as protein kinase inhibitors Signal Pharmaceuticals, Inc. (US) 2009-06-03 EP disclosed
US-20090099178-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF BHAGWAT SHRIPAD S 2009-04-16 US disclosed
WO-1999054309-A1 NAPHTHALENE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-28 WO disclosed
US-5912256-A 0-(4-INDOLYLOXY)-3-(4-HYDROXY-4-NAPHTHYLPIPERIDIN-1-YL)PROPANE S ELI LILLY AND COMPANY (US) 1999-06-15 US disclosed
US-5820781-A Naphthyl organic compounds THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN & NORTHERN IRELAND (GB) 1998-10-13 US disclosed
EP-0814084-A1 Indole derivatives as 5-HT1A antagonists and as inhibitors of serotonine reuptake ELI LILLY AND COMPANY (US) 1997-12-29 EP disclosed
WO-1997048698-A1 COMPOUNDS HAVING EFFECTS ON SEROTONIN-RELATED SYSTEMS ELI LILLY AND COMPANY (US) 1997-12-24 WO disclosed
US-5496500-A LIQUID CRYSTALS; ELECTROOPTICS DISPLAY DEVICES; DROPLETS DISPERSED IN TRANSPARENT POLYMER MATRIX THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN & NORTHERN IRELAND (GB) 1996-03-05 US disclosed
EP-0531475-A1 NAPHTHYL ORGANIC COMPOUNDS THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN (GB) 1993-03-17 EP disclosed
WO-1992016500-A1 NAPHTHYL ORGANIC COMPOUNDS THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1992-10-01 WO disclosed
US-5084204-A Naphthylacetylenes MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-01-28 US disclosed
US-4137272-A Process for the manufacture of 2-alkoxy-6-bromo-naphthalenes HOECHST AKTIENGESELLSCHAFT (DE) 1979-01-30 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 (3 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-20100160333-A1 NOVEL 3,9-DIAZABICYCLO[3.3.1]NONANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC6A3, SLC6A2 NQO1 1021/4885LMNA 4279/4885L3MBTL1 4856/4885
US-20110079775-A1 Solution Processable Organic Semiconductors ESPL1, TST, SPIN3 NQO1 1230/4885LMNA 1843/4885L3MBTL1 1891/4885
US-20090099178-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF WNT3, WNT3A, WNK3 NQO1 1770/4885LMNA 1959/4885L3MBTL1 2160/4885

“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.