SCHEMBL1542275

SCHEMBL1542275

Brc1cc(Br)cc(Cc2cc(Br)cc(Br)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.48
TAAR1 Q96RJ0 3/20 0.34
PTPN1 P18031 1/20 0.34
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
AGXT P21549 2/20 0.32
TACR1 P25103 1/20 0.31
MAOB P27338 1/20 0.30
CALM1 P0DP23 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
SCHEMBL13538111 0.84 IDO1 (0.38) IDO1
SCHEMBL6481288 0.84 CALM1 (0.60) IDO1TAAR1PTPN1TSHRTDP1
SCHEMBL18003103 0.80 MAOB (0.42) IDO1TAAR1AGXTMAOB
SCHEMBL8309566 0.80 CYP17A1 (0.45) CYP3A4
SCHEMBL400236 0.76 IDO1 (0.46) IDO1TAAR1CYP3A4TSHRTDP1
SCHEMBL1765119 0.76 IDO1 (0.52) IDO1TAAR1AGXTTACR1
SCHEMBL24617 0.76
SCHEMBL26858266 0.75 PNMT (0.50) IDO1TAAR1CYP3A4AGXT
SCHEMBL14460910 0.74 ALDH1A1 (0.45) IDO1PTPN1MAOB
SCHEMBL4408779 0.74 KDM4E (0.42) IDO1TAAR1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160240782-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2016-08-18 US disclosed
US-20160240782-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2016-08-18 US disclosed
US-20160240782-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2016-08-18 US disclosed
US-9203031-B2 Organic light emitting display devices and methods of manufacturing organic light emitting display devices SAMSUNG DISPLAY CO., LTD. (KR) 2015-12-01 US disclosed
US-9203031-B2 Organic light emitting display devices and methods of manufacturing organic light emitting display devices SAMSUNG DISPLAY CO., LTD. (KR) 2015-12-01 US disclosed
EP-2307520-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2015-11-11 EP disclosed
EP-2307520-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2015-11-11 EP disclosed
US-20130001530-A1 ORGANIC LIGHT EMITTING DISPLAY DEVICES AND METHODS OF MANUFACTURING ORGANIC LIGHT EMITTING DISPLAY DEVICES SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2013-01-03 US disclosed
US-20130001530-A1 ORGANIC LIGHT EMITTING DISPLAY DEVICES AND METHODS OF MANUFACTURING ORGANIC LIGHT EMITTING DISPLAY DEVICES SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2013-01-03 US disclosed
US-20110140043-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2011-06-16 US disclosed
EP-1377577-A1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES Sankyo Company Limited (JP) 2004-01-07 EP disclosed
EP-1361225-A1 COMPOUNDS SUBSTITUTED WITH BICYCLIC AMINO GROUPS Sankyo Company, Limited (JP) 2003-11-12 EP disclosed
EP-1352906-A1 COMPOSITIONS FOR PREVENTION OR TREATMENT OF HEPATOPATHY Sankyo Company, Limited (JP) 2003-10-15 EP disclosed
EP-1243589-A1 Heteroaryl-substituted pyrrole derivates, their preparation and their therapeutic uses Sankyo Company Limited (JP) 2002-09-25 EP disclosed
WO-2002057264-A1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES SANKYO COMPANY LIMITED (JP) 2002-07-25 WO disclosed
WO-2002035580-A2 THREE-TERMINAL FIELD-CONTROLLED MOLECULAR DEVICES MOLECULAR ELECTRONICS CORPORATION (US) 2002-05-02 WO disclosed
EP-1070711-A2 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses Sankyo Company Limited (JP) 2001-01-24 EP disclosed
US-5792840-A SUBSTITUTED GLUCOPYRANOSYL PHOSPHATES SANKYO COMPANY, LIMITED (JP) 1998-08-11 US disclosed
EP-0437016-B1 Lipid A analogues having immunoactivating and anti-tumour activity SANKYO CO (JP) 1996-05-01 EP disclosed
EP-0437016-A2 Lipid A analogues having immunoactivating and anti-tumour activity Sankyo Company Limited (JP) 1991-07-17 EP 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-20110140043-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE L1CAM, SLCO4C1, GJA1 IDO1 2765/4885TAAR1 876/4885PTPN1 4571/4885
US-20160240782-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE L1CAM, SLCO4C1, GJA1 IDO1 2765/4885TAAR1 876/4885PTPN1 4571/4885

“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.