SCHEMBL2201113

SCHEMBL2201113

c1ccc(-c2cccc(-c3nn[nH]n3)n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GP6 Q9HCN6 1/20 0.59
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
RAB9A P51151 1/20 0.57
KDM4E B2RXH2 2/20 0.56
HPGDS O60760 1/20 0.53
ALDH1A1 P00352 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CAMK2D Q13557 1/20 0.49
IDO1 P14902 3/20 0.49
CES1 P23141 1/20 0.48
ADH5 P11766 1/20 0.47
HSD17B10 Q99714 1/20 0.46
CYP2A6 P11509 1/20 0.46
FAAH O00519 1/20 0.45
METAP2 P50579 1/20 0.44
KEAP1 Q14145 1/20 0.44
ASIC3 Q9UHC3 1/20 0.44
CDC7 O00311 1/20 0.43
DBF4 Q9UBU7 1/20 0.43

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
SCHEMBL2200277 0.79 KDM4E (0.77) GP6MEN1KMT2ARAB9AKDM4E
SCHEMBL2202808 0.79 KDM4E (0.77) GP6MEN1KMT2ARAB9AKDM4E
SCHEMBL743969 0.79 CTRC (0.57) GP6MEN1KMT2AKDM4EHPGDS
SCHEMBL5017 0.78 HPGDS (0.78) GP6MEN1KMT2ARAB9AHPGDS
SCHEMBL2199741 0.77 MEN1 (0.53) GP6MEN1KMT2AKDM4EHPGDS
Hydrochloric Acid SCHEMBL30810801 0.77 HPGDS (0.75) GP6MEN1KMT2ARAB9AHPGDS
SCHEMBL4983079 0.77 HPGDS (0.75) GP6MEN1KMT2ARAB9AHPGDS
SCHEMBL21675622 0.76 CCR1 (0.54) GP6MEN1KMT2AKDM4EALDH1A1
SCHEMBL58442 0.76 MEN1 (1.00) MEN1KMT2ARAB9AKDM4EALDH1A1
SCHEMBL25378122 0.74 GP6 (1.00) GP6MEN1KMT2AHPGDSALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2385052-B1 Compound having oxadiazole ring structure substituted with pyridyl group, and organic electroluminescent device HODOGAYA CHEMICAL CO LTD (JP) 2013-11-13 EP disclosed
EP-2385052-A1 Compound having oxadiazole ring structure substituted with pyridyl group, and organic electroluminescent device Hodogaya Chemical Co., Ltd. (JP) 2011-11-09 EP disclosed
CN-1938297-B Compound having oxadiazole ring structure substituted with pyridyl group, and organic electroluminescent device HODOGAYA CHEMICAL CO LTD 2011-09-14 CN disclosed
US-7977671-B2 Compound having oxadiazole ring structure substituted with pyridyl group and organic electroluminescence device HODOGAYA CHEMICAL CO., LTD. (JP) 2011-07-12 US disclosed
US-7812341-B2 Compound having oxadiazole ring structure substituted with pyridyl group, and organic electroluminescent device HODOGAYA CHEMICAL CO., LTD. (JP) 2010-10-12 US disclosed
US-20100066244-A1 COMPOUND HAVING OXADIAZOLE RING STRUCTURE SUBSTITUTED WITH PYRIDYL GROUP AND ORGANIC ELECTROLUMINESCENCE DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2010-03-18 US disclosed
US-20080017846-A1 Compound Having Oxadiazole Ring Structure Substituted with Pyridyl Group, and Organic Electroluminescent Device HODOGAYA CHEMICAL CO., LTD. (JP) 2008-01-24 US disclosed
CN-1938297-A Compound having oxadiazole ring structure substituted with pyridyl group, and organic electroluminescent device HODOGAYA CHEMICAL CO LTD (JP) 2007-03-28 CN disclosed
EP-1746094-A1 COMPOUND HAVING OXADIAZOLE RING STRUCTURE SUBSTITUTED WITH PYRIDYL GROUP, AND ORGANIC ELECTROLUMINESCENT DEVICE Hodogaya Chemical Co., Ltd. (JP) 2007-01-24 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 (1 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-20100066244-A1 COMPOUND HAVING OXADIAZOLE RING STRUCTURE SUBSTITUTED WITH PYRIDYL GROUP AND ORGANIC ELECTROLUMINESCENCE DEVICE OXA1L, LEF1, PNPO GP6 2801/4885MEN1 1711/4885KMT2A 1654/4885

“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.