SCHEMBL2202802

SCHEMBL2202802

c1ccc(-c2cccc(-c3cccc(-c4nnc(-c5cccc(-c6nnc(-c7cccc(-c8cccc(-c9ccccn9)n8)n7)o6)c5)o4)n3)n2)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.56
TP53 P04637 6/20 0.56
CCR1 P32246 3/20 0.56
CCR5 P51681 3/20 0.56
CCR8 P51685 3/20 0.56
KDM4E B2RXH2 3/20 0.56
LMNA P02545 3/20 0.56
ALOX15 P16050 2/20 0.56
HTT P42858 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
ALPL P05186 1/20 0.56
HSP90AA1 P07900 1/20 0.56
ALPI P09923 1/20 0.56
ALPG P10696 1/20 0.56
MAPK1 P28482 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
PIM1 P11309 1/20 0.50
GRM5 P41594 6/20 0.47
GUSB P08236 1/20 0.46
NPC1 O15118 9/20 0.46

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
SCHEMBL367895 1.00 SMN1; SMN2 (0.56) SMN1; SMN2TP53CCR1CCR5CCR8
SCHEMBL29398228 1.00 SMN1; SMN2 (0.56) SMN1; SMN2TP53CCR1CCR5CCR8
SCHEMBL29756481 1.00 SMN1; SMN2 (0.56) SMN1; SMN2TP53CCR1CCR5CCR8
SCHEMBL17320277 0.97 SMN1; SMN2 (0.53) SMN1; SMN2TP53CCR1CCR5CCR8
SCHEMBL28875337 0.94 RAB9A (0.50) SMN1; SMN2TP53CCR1CCR5CCR8
SCHEMBL29244073 0.92 SMN1; SMN2 (0.58) SMN1; SMN2TP53CCR1CCR5CCR8
SCHEMBL2198833 0.91 SMN1; SMN2 (0.53) SMN1; SMN2TP53CCR1CCR5CCR8
SCHEMBL24554681 0.91 SMN1; SMN2 (0.46) SMN1; SMN2TP53CCR1CCR5CCR8
SCHEMBL2197485 0.90 SMN1; SMN2 (0.60) SMN1; SMN2TP53CCR1CCR5CCR8
SCHEMBL12425309 0.90 KDM4E (0.69) SMN1; SMN2TP53CCR1CCR5CCR8

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 SMN1; SMN2 3259/4885TP53 4312/4885CCR1 3279/4885

“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.