Sugi Predict

Sugi Predict / Compounds / SCHEMBL4282939

SCHEMBL4282939

SCHEMBL4282939

O=Cc1cc2cccc(F)c2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 2/20 0.53
▸ DDO Q99489 1/20 0.53
▸ CYP2A6 P11509 1/20 0.52
▸ CA12 O43570 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ HRH4 Q9H3N8 6/20 0.42
▸ ERN1 O75460 1/20 0.36
▸ AR P10275 1/20 0.34
▸ FEN1 P39748 1/20 0.33
▸ ALB P02768 1/20 0.33
▸ IL2 P60568 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ PCSK9 Q8NBP7 1/20 0.33
▸ HDAC3 O15379 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32

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
SCHEMBL27923266 0.79 CYP2A6 (0.53) DAODDOCYP2A6DYRK1A
SCHEMBL2770272 0.79 CYP2A6 (0.42) DAODDOCYP2A6HRH4ERN1
SCHEMBL20840621 0.78 DAO (0.53) DAOCYP2A6CA12CA9HRH4
SCHEMBL27849723 0.78 CYP2A6 (0.52) DAODDOCYP2A6CA12CA9
SCHEMBL5366835 0.78 DAO (0.53) DAODDOCYP2A6HRH4
SCHEMBL29955749 0.78 CYP2A6 (0.52) DAODDOCYP2A6CA12CA9
SCHEMBL6818942 0.78 CYP2A6 (0.52) DAODDOCYP2A6HRH4
SCHEMBL29956573 0.77 CYP2A6 (0.47) DAODDOCYP2A6HRH4HDAC3
SCHEMBL4069728 0.77 DAO (0.61) DAODDOCA12CA9HRH4
SCHEMBL20853236 0.75 TNF (0.44) DAOCYP2A6AR

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-20230122967-A1 NOVEL COMPOUNDS AS INHIBITORS OF PCSK9 SHENGKE PHARMACEUTICALS (JIANGSU) LTD. (CN) 2023-04-20 — — US disclosed
WO-2021143762-A1 NOVEL COMPOUNDS AS INHIBITORS OF PCSK9 SHENGKE PHARMACEUTICALS (JIANGSU) LTD. (CN) 2021-07-22 — — WO disclosed
US-20110286922-A1 IMAGING AND RADIOTHERAPY METHODS GENERAL ELECTRIC COMPANY 2011-11-24 — — US disclosed
CN-102007100-A Compounds and compositions as modulators of GPR119 activity IRM LLC 2011-04-06 — — CN disclosed
US-7534793-B2 Aminopiperidine quinolines and their azaisosteric analogues with antibacterial activity SMITHKLINE BEECHAM P.L.C. (GB) 2009-05-19 — — US disclosed
US-20060014749-A1 Aminopiperidine quinolines and their azaisosteric analogues with antibacterial activity SMITHKLINE BEECHAM P.L.C. 2006-01-19 — — 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-20110286922-A1 IMAGING AND RADIOTHERAPY METHODS ALDH2, ALDH3A1, ALDH1A1 DAO 596/4885DDO 191/4885CYP2A6 1880/4885
US-20230122967-A1 NOVEL COMPOUNDS AS INHIBITORS OF PCSK9 PCSK9, PCSK7, PCSK6 DAO 2990/4885DDO 3628/4885CYP2A6 1388/4885
US-20060014749-A1 Aminopiperidine quinolines and their azaisosteric analogues with antibacterial activity AZI2, NPEPPS, AMPD2 DAO 174/4885DDO 782/4885CYP2A6 690/4885

“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.