Sugi Predict

Sugi Predict / Compounds / SCHEMBL11987293

SCHEMBL11987293

SCHEMBL11987293

Fc1cccc2ncc(-c3nnc(-c4cccc(-c5nnc(-c6cnc7cccc(F)c7n6)o5)c4)o3)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 12/20 0.41
▸ BCHE P06276 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ NPC1 O15118 5/20 0.39
▸ RAB9A P51151 5/20 0.39
▸ GUSB P08236 1/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ TSHR P16473 3/20 0.37
▸ TP53 P04637 3/20 0.37
▸ HPGD P15428 2/20 0.37
▸ MECP2 P51608 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ ALPL P05186 1/20 0.37
▸ POLB P06746 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
SCHEMBL11987284 0.89 ATR (0.40) ATRNPC1RAB9AGUSBSMN1; SMN2
SCHEMBL11987294 0.84 NPC1 (0.43) ATRNPC1RAB9AGUSBSMN1; SMN2
SCHEMBL11987295 0.83 ATR (0.46) ATRNPC1RAB9AGUSBSMN1; SMN2
SCHEMBL11987296 0.83 ATR (0.47) ATRNPC1RAB9ASMN1; SMN2TSHR
SCHEMBL11987280 0.81 NPC1 (0.53) ATRBCHENPC1RAB9ASMN1; SMN2
SCHEMBL11987269 0.79 NPC1 (0.42) ATRNPC1RAB9ASMN1; SMN2TSHR
SCHEMBL11987290 0.78 MAOB (0.41) ATRBCHEACHENPC1RAB9A
SCHEMBL11987286 0.78 MAOB (0.41) ATRBCHEACHENPC1RAB9A
SCHEMBL11987281 0.76 NPC1 (0.43) ATRNPC1RAB9AGUSBSMN1; SMN2
SCHEMBL11987285 0.75 ATR (0.46) ATRNPC1RAB9AGUSBSMN1; SMN2

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 577/4885BCHE 4027/4885ACHE 1981/4885

“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.