SCHEMBL2199703

SCHEMBL2199703

c1ccc(-c2cccc(-c3nnc(-c4ccc(-c5nnc(-c6cccc(-c7ccccn7)n6)o5)s4)o3)n2)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.55
TP53 P04637 5/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
LMNA P02545 3/20 0.55
CCR1 P32246 3/20 0.55
CCR5 P51681 3/20 0.55
CCR8 P51685 3/20 0.55
ALOX15 P16050 2/20 0.55
HTT P42858 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
ALPL P05186 1/20 0.55
HSP90AA1 P07900 1/20 0.55
ALPI P09923 1/20 0.55
ALPG P10696 1/20 0.55
MAPK1 P28482 1/20 0.55
NPC1 O15118 6/20 0.53
RAB9A P51151 6/20 0.53
MAPT P10636 3/20 0.53
GLA P06280 2/20 0.53

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
SCHEMBL12425309 0.89 KDM4E (0.69) KDM4ETP53SMN1; SMN2LMNACCR1
SCHEMBL2197485 0.83 SMN1; SMN2 (0.60) KDM4ETP53SMN1; SMN2LMNACCR1
SCHEMBL2554742 0.83 KDM4E (0.60) KDM4ETP53SMN1; SMN2LMNACCR1
SCHEMBL29244073 0.81 SMN1; SMN2 (0.58) KDM4ETP53SMN1; SMN2LMNACCR1
SCHEMBL367895 0.80 SMN1; SMN2 (0.56) KDM4ETP53SMN1; SMN2LMNACCR1
SCHEMBL29398228 0.80 SMN1; SMN2 (0.56) KDM4ETP53SMN1; SMN2LMNACCR1
SCHEMBL29756481 0.80 SMN1; SMN2 (0.56) KDM4ETP53SMN1; SMN2LMNACCR1
SCHEMBL2202802 0.80 SMN1; SMN2 (0.56) KDM4ETP53SMN1; SMN2LMNACCR1
SCHEMBL2198833 0.78 SMN1; SMN2 (0.53) KDM4ETP53SMN1; SMN2LMNACCR1
SCHEMBL17320277 0.78 SMN1; SMN2 (0.53) KDM4ETP53SMN1; SMN2LMNACCR1

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 17 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-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-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-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-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-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-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-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
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
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
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 KDM4E 608/4885TP53 4312/4885SMN1; SMN2 3259/4885

“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.