SCHEMBL533234

SCHEMBL533234

Clc1cccc2c[c]oc12

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.38
CYP2A6 P11509 2/20 0.38
PSMB8 P28062 2/20 0.34
PSMB5 P28074 1/20 0.34
AHR P35869 5/20 0.33
TSHR P16473 3/20 0.32
LMNA P02545 1/20 0.32
NOS1 P29475 1/20 0.31
NR4A2 P43354 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
CYP3A4 P08684 1/20 0.30

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
SCHEMBL5310084 0.78 NPC1 (0.39) CYP1A2PSMB8TSHRLMNAALDH1A1
SCHEMBL514334 0.74 CA12 (0.35) CA12CA9
SCHEMBL767227 0.74 ALDH1A1 (0.40) CYP1A2TSHRLMNAALDH1A1CA12
SCHEMBL766942 0.74 MAOA (0.32) NOS1CA12CA9
SCHEMBL3378262 0.74 MAOB (0.39) CYP1A2CYP2A6ALDH1A1
SCHEMBL2517288 0.70 ALDH1A1 (0.46) CYP1A2CYP2A6TSHRLMNAALDH1A1
SCHEMBL4455156 0.70 GPR35 (0.36) AHRTSHRALDH1A1CA12CA9
SCHEMBL5544202 0.69 GABRA1 (0.43)
SCHEMBL21296179 0.69 ADORA3 (0.40) CYP2A6TSHRALDH1A1
SCHEMBL767512 0.69 CA1 (0.39) CYP2A6TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016201168-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF FORUM PHARMCEUTICALS INC. (US) 2016-12-15 WO disclosed
EP-2415763-B1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA UBE INDUSTRIES (JP) 2016-01-27 EP disclosed
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE INDUSTRIES, LTD. (JP) 2014-04-24 US disclosed
US-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2014-02-20 US disclosed
US-8648097-B2 Pyridylaminoacetic acid compound UBE INDUSTRIES, LTD. (JP) 2014-02-11 US disclosed
US-8618307-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-12-31 US disclosed
US-20130245025-A1 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-09-19 US disclosed
EP-2619200-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM Calcimedica, Inc. (US) 2013-07-31 EP disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
US-8394848-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-03-12 US disclosed
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
CN-1204126-C Process for preparing pyridazin-2-one derivs. SUMITOMO CHEMICAL CO (JP) 2005-06-01 CN disclosed
EP-1137641-B1 PROCESS FOR PREPARING PYRIDAZIN-3-ON DERIVATIVES SUMITOMO CHEMICAL CO (JP) 2004-11-10 EP disclosed
US-20040132748-A1 Novel adenne derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-08 US disclosed
EP-1386923-A1 NOVEL ADENINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-02-04 EP disclosed
US-6500951-B1 RING CLOSING A CARBOXYLIC ACID DERIVATIVE IN PRESENCE OF A NITROGEN CONTAINING AROMATIC COMPOUND AND A BORON COMPOUND; HIGH YIELD AND PURITY SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-12-31 US disclosed
CN-1334805-A Process for preparing pyridazin-2-one derivs. SUMITOMO CHEMICAL CO (JP) 2002-02-06 CN disclosed
EP-1137641-A1 PROCESS FOR PREPARING PYRIDAZIN-3-ON DERIVATIVES SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2001-10-04 EP disclosed
WO-2000034249-A1 PROCESS FOR PREPARING PYRIDAZIN-3-ON DERIVATIVES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-06-15 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 (4 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-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 CYP1A2 4570/4885CYP2A6 4078/4885PSMB8 3740/4885
US-20040132748-A1 Novel adenne derivatives IRF3, IFNAR1, STING1 CYP1A2 628/4885CYP2A6 3427/4885PSMB8 1700/4885
US-20130245025-A1 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 CYP1A2 4570/4885CYP2A6 4078/4885PSMB8 3740/4885
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 CYP1A2 159/4885CYP2A6 215/4885PSMB8 2735/4885

“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.