SCHEMBL11987296

SCHEMBL11987296

c1ccc(-c2cccc3ncc(-c4nnc(-c5cccc(-c6nnc(-c7cnc8cccc(-c9ccccc9)c8n7)o6)c5)o4)nc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATR Q13535 13/20 0.47
MET P08581 1/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
TSHR P16473 3/20 0.42
TP53 P04637 2/20 0.42
MECP2 P51608 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
HPGD P15428 1/20 0.42
PIM1 P11309 1/20 0.41

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
SCHEMBL11987282 0.90 ATR (0.47) ATRNPC1RAB9ASMN1; SMN2TSHR
SCHEMBL11987280 0.83 NPC1 (0.53) ATRNPC1RAB9ASMN1; SMN2TSHR
SCHEMBL11987293 0.83 ATR (0.41) ATRNPC1RAB9ASMN1; SMN2TSHR
SCHEMBL11987294 0.83 NPC1 (0.43) ATRNPC1RAB9ASMN1; SMN2TSHR
SCHEMBL9885994 0.80 MET (0.54) METNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL11987261 0.80 RAB9A (0.45) ATRNPC1RAB9ASMN1; SMN2TSHR
SCHEMBL11987295 0.80 ATR (0.46) ATRNPC1RAB9ASMN1; SMN2TSHR
SCHEMBL11987292 0.77 ATR (0.44) ATRNPC1RAB9ASMN1; SMN2TSHR
SCHEMBL11987288 0.77 TLR9 (0.47) ATRNPC1RAB9ASMN1; SMN2TSHR
SCHEMBL11987284 0.75 ATR (0.40) ATRNPC1RAB9ASMN1; SMN2TSHR

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 577/4885MET 4082/4885NPC1 3174/4885

“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.