SCHEMBL2199741

SCHEMBL2199741

Fc1ccccc1-c1cccc(-c2nn[nH]n2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
KMT2A Q03164 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KDM4E B2RXH2 2/20 0.50
PDE3B Q13370 1/20 0.50
PDE3A Q14432 1/20 0.50
IDO1 P14902 2/20 0.46
PBRM1 Q86U86 1/20 0.46
GAA P10253 1/20 0.46
LDHA P00338 1/20 0.46
DHODH Q02127 1/20 0.42
GP6 Q9HCN6 1/20 0.41
TAS2R14 Q9NYV8 1/20 0.41
HPGDS O60760 1/20 0.41
TGFBR1 P36897 1/20 0.40
MAP4K1 Q92918 1/20 0.40
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39

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
SCHEMBL2200363 0.84 PFKFB4 (0.44) MEN1ALDH1A1KMT2AL3MBTL1KDM4E
SCHEMBL8294492 0.81 ALDH1A1 (0.73) MEN1ALDH1A1KMT2AL3MBTL1KDM4E
SCHEMBL12856726 0.79 NPC1 (0.53) MEN1ALDH1A1KMT2AL3MBTL1IDO1
SCHEMBL29470231 0.79 NPC1 (0.53) MEN1ALDH1A1KMT2AL3MBTL1IDO1
SCHEMBL2201113 0.77 GP6 (0.59) MEN1ALDH1A1KMT2AL3MBTL1KDM4E
SCHEMBL28005084 0.75 ALDH1A1 (0.62) MEN1ALDH1A1KMT2AL3MBTL1KDM4E
SCHEMBL2202808 0.74 KDM4E (0.77) MEN1ALDH1A1KMT2AL3MBTL1KDM4E
SCHEMBL2200277 0.74 KDM4E (0.77) MEN1ALDH1A1KMT2AL3MBTL1KDM4E
SCHEMBL13113067 0.72 ALDH1A1 (0.52) MEN1ALDH1A1KMT2AL3MBTL1KDM4E
SCHEMBL21675622 0.71 CCR1 (0.54) MEN1ALDH1A1KMT2AL3MBTL1KDM4E

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 MEN1 1711/4885ALDH1A1 175/4885KMT2A 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.