Sugi Predict

Sugi Predict / Compounds / SCHEMBL11987261

SCHEMBL11987261

SCHEMBL11987261

c1ccc(-c2cccc3ccc(-c4nnc(-c5cccc(-c6nnc(-c7ccc8cccc(-c9ccccc9)c8n7)o6)c5)o4)nc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 11/20 0.45
▸ SMN1; SMN2 Q16637 10/20 0.45
▸ NPC1 O15118 9/20 0.45
▸ TSHR P16473 7/20 0.45
▸ HPGD P15428 6/20 0.45
▸ TP53 P04637 2/20 0.45
▸ NFKB1 P19838 2/20 0.45
▸ NFKB2 Q00653 2/20 0.45
▸ RELA Q04206 2/20 0.45
▸ MECP2 P51608 1/20 0.45
▸ ATR Q13535 3/20 0.44
▸ ALDH1A1 P00352 7/20 0.43
▸ KDM4E B2RXH2 5/20 0.43
▸ HSD17B10 Q99714 4/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ MAPT P10636 4/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42

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
SCHEMBL11987251 0.87 RAB9A (0.49) RAB9ASMN1; SMN2NPC1TSHRHPGD
SCHEMBL4179426 0.83 ATR (0.49) RAB9ASMN1; SMN2NPC1TSHRHPGD
SCHEMBL5340331 0.81 RAB9A (0.63) RAB9ASMN1; SMN2NPC1TSHRHPGD
SCHEMBL11987268 0.81 SMN1; SMN2 (0.47) RAB9ASMN1; SMN2NPC1TSHRHPGD
SCHEMBL11987269 0.81 NPC1 (0.42) RAB9ASMN1; SMN2NPC1TSHRHPGD
SCHEMBL11987337 0.80 ATR (0.49) RAB9ASMN1; SMN2NPC1TSHRHPGD
SCHEMBL11987296 0.80 ATR (0.47) RAB9ASMN1; SMN2NPC1TSHRHPGD
SCHEMBL23246446 0.79 PARP1 (0.49) RAB9ASMN1; SMN2TSHRHPGDTP53
SCHEMBL4175696 0.79 NPC1 (0.54) RAB9ASMN1; SMN2NPC1TSHRHPGD
SCHEMBL11987326 0.79 ATR (0.48) RAB9ASMN1; SMN2NPC1TSHRHPGD

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 RAB9A 4215/4885SMN1; SMN2 3119/4885NPC1 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.