SCHEMBL2200277

SCHEMBL2200277

c1ccc(-c2cccc(-c3nn[nH]n3)n2)nc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.77
L3MBTL1 Q9Y468 4/20 0.60
LMNA P02545 3/20 0.60
TP53 P04637 3/20 0.60
CCR1 P32246 3/20 0.60
CCR5 P51681 3/20 0.60
CCR8 P51685 3/20 0.60
ALOX15 P16050 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
TDP1 Q9NUW8 3/20 0.60
HTT P42858 2/20 0.60
ALPL P05186 2/20 0.60
HSP90AA1 P07900 1/20 0.60
ALPI P09923 1/20 0.60
ALPG P10696 1/20 0.60
MAPK1 P28482 1/20 0.60
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP1A2 P05177 1/20 0.47

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
SCHEMBL2202808 1.00 KDM4E (0.77) KDM4EL3MBTL1LMNATP53CCR1
SCHEMBL14549596 0.88 KDM4E (1.00) KDM4EL3MBTL1LMNATP53CCR1
SCHEMBL2201113 0.79 GP6 (0.59) KDM4EL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL14297276 0.78 KDM4E (0.82) KDM4EL3MBTL1LMNATP53CCR1
SCHEMBL14297310 0.78 KDM4E (0.82) KDM4EL3MBTL1LMNATP53CCR1
SCHEMBL12925670 0.78 KDM4E (0.82) KDM4EL3MBTL1LMNATP53CCR1
SCHEMBL994705 0.78 KDM4E (0.82) KDM4EL3MBTL1LMNATP53CCR1
SCHEMBL7964803 0.78 KDM4E (1.00) KDM4EL3MBTL1LMNATP53CCR1
Terpyridine SCHEMBL57442 0.78 KDM4E (1.00) KDM4EL3MBTL1LMNATP53CCR1
Terpyridine SCHEMBL29357603 0.78 KDM4E (1.00) KDM4EL3MBTL1LMNATP53CCR1

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 KDM4E 608/4885L3MBTL1 2128/4885LMNA 3113/4885

“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.