Sugi Predict

Sugi Predict / Compounds / SCHEMBL11987263

SCHEMBL11987263

SCHEMBL11987263

FC(F)(F)c1cccc2ccc(-c3nnc(-c4cccc(-c5nnc(-c6ccc7cccc(C(F)(F)F)c7n6)o5)c4)o3)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 9/20 0.47
▸ RAB9A P51151 8/20 0.47
▸ HTT P42858 1/20 0.47
▸ SMN1; SMN2 Q16637 7/20 0.43
▸ HPGD P15428 4/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ TSHR P16473 4/20 0.40
▸ ATR Q13535 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ NOTUM Q6P988 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ TP53 P04637 3/20 0.37
▸ ESR1 P03372 1/20 0.37

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
SCHEMBL11987269 0.82 NPC1 (0.42) NPC1RAB9AHTTSMN1; SMN2HPGD
SCHEMBL11987268 0.82 SMN1; SMN2 (0.47) NPC1RAB9AHTTSMN1; SMN2HPGD
SCHEMBL11987295 0.81 ATR (0.46) NPC1RAB9AHTTSMN1; SMN2HPGD
SCHEMBL11987251 0.79 RAB9A (0.49) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL11987285 0.78 ATR (0.46) NPC1RAB9AHTTSMN1; SMN2HPGD
SCHEMBL11987261 0.78 RAB9A (0.45) NPC1RAB9ASMN1; SMN2HPGDKDM4E
SCHEMBL4179426 0.78 ATR (0.49) NPC1RAB9AHTTSMN1; SMN2HPGD
SCHEMBL11987256 0.76 RAB9A (0.53) NPC1RAB9AHTTSMN1; SMN2HPGD
SCHEMBL27786914 0.75 SCN9A (0.57) TSHRALDH1A1CYP1A2CYP3A4ESR1
SCHEMBL11987262 0.75 RAB9A (0.52) NPC1RAB9AHTTSMN1; SMN2HPGD

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 5 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
EP-1932842-A1 COMPOUND HAVING OXADIAZOLE RING STRUCTURE BONDED WITH AROMATIC HETEROCYCLIC RING AND ORGANIC ELECTROLUMINESCENT DEVICE Hodogaya Chemical Co., Ltd. (JP) 2008-06-18 — — 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-20090230849-A1 COMPOUND HAVING OXADIAZOLE RING STRUCTURE BONDED WITH AROMATIC HETEROCYCLIC RING AND ORGANIC ELECTROLUMINESCENT DEVICE OXA1L, ORC3, OCIAD1 NPC1 3174/4885RAB9A 4215/4885HTT 1293/4885

“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.