Sugi Predict

Sugi Predict / Compounds / SCHEMBL4452255

SCHEMBL4452255

SCHEMBL4452255

Cc1ccc(O)c(-c2cccnc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 4/20 0.53
▸ IDO1 P14902 1/20 0.51
▸ MAOA P21397 1/20 0.51
▸ MAOB P27338 1/20 0.51
▸ ACLY P53396 2/20 0.51
▸ CYP3A4 P08684 4/20 0.50
▸ MAP2K4 P45985 1/20 0.50
▸ NPC1 O15118 4/20 0.49
▸ RAB9A P51151 4/20 0.49
▸ MAPT P10636 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ CYP2D6 P10635 2/20 0.49
▸ CYP2C9 P11712 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ CYP2E1 P05181 1/20 0.49
▸ CYP2B6 P20813 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.48
▸ CYP1A2 P05177 2/20 0.48
▸ TP53 P04637 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48

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
SCHEMBL14493330 0.87 CYP2A6 (0.54) CYP2A6MAOAMAOBACLYCYP3A4
SCHEMBL3424504 0.85 CYP2A6 (0.56) CYP2A6MAOAMAOBACLYCYP3A4
SCHEMBL25871383 0.85 CYP2A6 (0.56) CYP2A6MAOAMAOBACLYCYP3A4
SCHEMBL14003400 0.84 CYP2A6 (0.54) CYP2A6MAOAMAOBCYP3A4MAP2K4
SCHEMBL1491549 0.82 CYP2A6 (0.64) CYP2A6ACLYCYP3A4NPC1RAB9A
SCHEMBL10358281 0.82 MAPT (0.66) IDO1CYP3A4NPC1RAB9AMAPT
SCHEMBL3594441 0.82 MAPT (0.61) CYP3A4MAP2K4NPC1RAB9AMAPT
SCHEMBL8173316 0.81 CYP11B1 (0.59) CYP2A6CYP3A4NPC1RAB9AMAPT
SCHEMBL8360922 0.81 CYP2A6 (0.51) CYP2A6MAOAMAOBCYP3A4MAP2K4
SCHEMBL2665898 0.81 CYP2A6 (0.51) CYP2A6MAOAMAOBCYP3A4MAP2K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208999-A1 HETEROCYCLIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2024-06-27 — — US disclosed
CN-115667256-A Compounds for treating diseases and methods of treating diseases 艾特里提治疗有限公司 2023-01-31 — — CN disclosed
US-20090156635-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATORS GILLESPIE PAUL 2009-06-18 — — US disclosed
US-7524870-B2 Biaryloxymethylarenecarboxylic acids as glycogen synthase activators HOFFMANN-LA ROCHE INC. (US) 2009-04-28 — — US disclosed
CN-101068803-A Biaryloxymethylarene carboxylic acid compounds HOFFMANN LA ROCHE (CH) 2007-11-07 — — CN disclosed
US-20060122256-A1 Biaryloxymethylarenecarboxylic acids as glycogen synthase activators GILLESPIE PAUL 2006-06-08 — — 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 (3 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-20090156635-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATORS GYS2, GYS1, GSK3A CYP2A6 132/4885IDO1 2315/4885MAOA 777/4885
US-20060122256-A1 Biaryloxymethylarenecarboxylic acids as glycogen synthase activators GYS2, GYS1, GSK3A CYP2A6 132/4885IDO1 2315/4885MAOA 777/4885
US-20240208999-A1 HETEROCYCLIC COMPOUND AHR, PDGFRA, PDGFRB CYP2A6 480/4885IDO1 1608/4885MAOA 910/4885

“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.