SCHEMBL11987285

SCHEMBL11987285

FC(F)(F)c1cccc2nc(-c3nnc(-c4cccc(-c5nnc(-c6cnc7c(C(F)(F)F)cccc7n6)o5)c4)o3)cnc12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATR Q13535 6/20 0.46
NPC1 O15118 5/20 0.44
RAB9A P51151 4/20 0.44
HTT P42858 1/20 0.44
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NOTUM Q6P988 2/20 0.38
TSHR P16473 1/20 0.38
SCN9A Q15858 1/20 0.37
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GUSB P08236 1/20 0.36
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 1/20 0.35
GSK3B P49841 1/20 0.35

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
SCHEMBL11987295 0.90 ATR (0.46) ATRNPC1RAB9AHTTHPGD
SCHEMBL11987284 0.83 ATR (0.40) ATRNPC1RAB9AHTTHPGD
SCHEMBL11987281 0.83 NPC1 (0.43) ATRNPC1RAB9AHTTHPGD
SCHEMBL11987282 0.80 ATR (0.47) ATRNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL11987280 0.78 NPC1 (0.53) ATRNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL11987263 0.78 NPC1 (0.47) ATRNPC1RAB9AHTTHPGD
SCHEMBL11987291 0.78 NPC1 (0.50) ATRNPC1RAB9AHTTHPGD
SCHEMBL11987287 0.78 NPC1 (0.50) ATRNPC1RAB9AHTTHPGD
SCHEMBL11987293 0.75 ATR (0.41) ATRNPC1RAB9AHTTHPGD
SCHEMBL11987294 0.75 NPC1 (0.43) ATRNPC1RAB9AHTTHPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247087-B2 Compound having oxadiazole ring structure bonded with aromatic heterocyclic ring and organic electroluminescent device HODOGAYA CHEMICAL CO., LTD. (JP) 2012-08-21 US disclosed
US-8247087-B2 Compound having oxadiazole ring structure bonded with aromatic heterocyclic ring and organic electroluminescent device HODOGAYA CHEMICAL CO., LTD. (JP) 2012-08-21 US disclosed
US-20090230849-A1 COMPOUND HAVING OXADIAZOLE RING STRUCTURE BONDED WITH AROMATIC HETEROCYCLIC RING AND ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2009-09-17 US disclosed
US-20090230849-A1 COMPOUND HAVING OXADIAZOLE RING STRUCTURE BONDED WITH AROMATIC HETEROCYCLIC RING AND ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2009-09-17 US 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-20090230849-A1 COMPOUND HAVING OXADIAZOLE RING STRUCTURE BONDED WITH AROMATIC HETEROCYCLIC RING AND ORGANIC ELECTROLUMINESCENT DEVICE OXA1L, ORC3, OCIAD1 ATR 577/4885NPC1 3174/4885RAB9A 4215/4885

“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.