SCHEMBL2200363

SCHEMBL2200363

Fc1ccc(-c2cccc(-c3nn[nH]n3)n2)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PFKFB4 Q16877 1/20 0.44
KDM4E B2RXH2 1/20 0.43
GPR35 Q9HC97 3/20 0.42
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42
CSNK2A1 P68400 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SCN9A Q15858 1/20 0.40
DHODH Q02127 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ESR2 Q92731 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL2199741 0.84 MEN1 (0.53) KDM4ECSNK2A2CSNK2BCSNK2A1MEN1
SCHEMBL31346245 0.81 GPR35 (0.52) PFKFB4GPR35HCAR2MEN1ALDH1A1
SCHEMBL13261826 0.81 KMO (0.51) MEN1KMT2AL3MBTL1SCN9AKMO
SCHEMBL9106265 0.73 KMO (0.45) MEN1KMT2AL3MBTL1SCN9AKMO
SCHEMBL19072692 0.73 KMO (0.47) MEN1KMT2AL3MBTL1SCN9AKMO
SCHEMBL863315 0.70 ALPL (0.41) KDM4EMEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL2201113 0.70 GP6 (0.59) KDM4EMEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL15888380 0.70 CCR1 (0.52) KDM4EALDH1A1L3MBTL1SCN9ALMNA
SCHEMBL3923995 0.70 KMO (0.45) ALDH1A1L3MBTL1SCN9AKMO
SCHEMBL9277799 0.70 KDM4E (0.58) KDM4EMEN1ALDH1A1KMT2AL3MBTL1

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 7 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
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
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 PFKFB4 3065/4885KDM4E 608/4885GPR35 2924/4885

“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.