Sugi Predict

Sugi Predict / Compounds / SCHEMBL4538231

SCHEMBL4538231

SCHEMBL4538231

O=Cc1ccnc(-c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ASIC3 Q9UHC3 2/20 0.53
▸ IDH1 O75874 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.43
▸ CYP2A6 P11509 2/20 0.43
▸ MAPT P10636 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ KMO O15229 1/20 0.41
▸ KDM1A O60341 2/20 0.40
▸ HDAC1 Q13547 2/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.40
▸ UNG P13051 1/20 0.40
▸ LOXL2 Q9Y4K0 1/20 0.40
▸ COMT P21964 1/20 0.40
▸ MIF P14174 1/20 0.40
▸ AURKA O14965 1/20 0.40

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
SCHEMBL14303852 0.96 ASIC3 (0.50) ASIC3IDH1ALDH1A1CYP2A6MAPT
SCHEMBL13568529 0.85 ALDH1A1 (0.48) ASIC3IDH1ALDH1A1MAPTKDM4E
SCHEMBL10921542 0.84 ASIC3 (0.57) ASIC3IDH1ALDH1A1MAPTKDM4E
SCHEMBL19385092 0.84 CYP2A6 (0.60) ALDH1A1CYP2A6KMOKDM1AHDAC1
SCHEMBL730405 0.83 CCR1 (0.42) IDH1ALDH1A1CYP2A6KDM4EUNG
SCHEMBL29387096 0.83 CCR1 (0.42) IDH1ALDH1A1CYP2A6KDM4EUNG
SCHEMBL2326260 0.81 HDAC1 (0.56) IDH1ALDH1A1CYP2A6MAPTKDM4E
SCHEMBL30479913 0.81 HDAC1 (0.56) IDH1ALDH1A1CYP2A6MAPTKDM4E
SCHEMBL9939619 0.81 MEN1 (0.44) IDH1ALDH1A1KDM4EMEN1NPC1
SCHEMBL30259309 0.81 CCR1 (0.41) IDH1ALDH1A1CYP2A6KDM4EKDM1A

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114716366-A 3-hydroxypyridine-4-ketone derivatives and application thereof in inhibition of renal cell iron death 浙江大学 2022-07-08 — — CN claimed
CN-1729044-A Melt spun polysulfone semipermeable membranes and methods of making the same BAXTER INT (US) 2006-02-01 — — CN claimed
CN-1242025-A Melt spun polysulfone semipermeable membranes and methods of making the same ALTHIN MEDICAL INC (US) 2000-01-19 — — CN claimed
EP-3750890-B1 ALKOXYBENZO-FIVE-MEMBERED (SIX-MEMBERED) HETEROCYCLIC AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF SHIJIAZHUANG YILING PHARMACEUTICAL CO LTD (CN) 2026-04-01 — — EP disclosed
WO-2023250157-A9 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE CORNELL UNIVERSITY (US) 2024-01-25 — — WO disclosed
WO-2023250157-A1 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE CORNELL UNIVERSITY (US) 2023-12-28 — — WO disclosed
US-11844267-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2023-12-12 — — US disclosed
US-11844267-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2023-12-12 — — US disclosed
US-11844267-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2023-12-12 — — US disclosed
CN-113712964-B Application of 9,10 dihydrophenanthrene compound in preparation of coronavirus 3CL protease inhibitor 上海中医药大学 2023-04-07 — — CN disclosed
US-20220416166-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2022-12-29 — — US disclosed
CN-104987273-A Catalytic oxidation synthesis method of diaryl ketone compound UNIV ZHEJIANG TECHNOLOGY 2015-10-21 — — CN disclosed
EP-2638008-B1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-07-01 — — EP disclosed
EP-2638008-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2013-09-18 — — EP disclosed
US-20130237525-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2013-09-12 — — US disclosed
CN-103201261-A Lactam derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD 2013-07-10 — — CN disclosed
WO-2012063207-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-05-18 — — WO disclosed
CN-1729044-A Melt spun polysulfone semipermeable membranes and methods of making the same BAXTER INT (US) 2006-02-01 — — CN disclosed
CN-1242025-A Melt spun polysulfone semipermeable membranes and methods of making the same ALTHIN MEDICAL INC (US) 2000-01-19 — — CN disclosed
US-4376769-A Substituted imidazo thiazoles thiazines, thiazepines and thiazocines SCHERING CORPORATION (US) 1983-03-15 — — 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-11844267-B2 Organic electroluminescent materials and devices L1CAM, LEF1, EPCAM ASIC3 520/4885IDH1 2269/4885ALDH1A1 330/4885
US-20130237525-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R ASIC3 1162/4885IDH1 4139/4885ALDH1A1 2282/4885
US-20220416166-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES L1CAM, LEF1, EPCAM ASIC3 520/4885IDH1 2269/4885ALDH1A1 330/4885

“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.