Sugi Predict

Sugi Predict / Compounds / SCHEMBL221702

SCHEMBL221702

SCHEMBL221702

O=c1[nH]c2c[c]ccc2o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OGT O15294 1/20 0.53
▸ NOS1 P29475 5/20 0.47
▸ NOS2 P35228 4/20 0.47
▸ NOS3 P29474 3/20 0.47
▸ LMNA P02545 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ ADRA2A P08913 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ THPO P40225 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ KMO O15229 1/20 0.41
▸ PDE3B Q13370 2/20 0.41
▸ PDE3A Q14432 2/20 0.41
▸ POLB P06746 2/20 0.37
▸ F2 P00734 1/20 0.37
▸ CFD P00746 1/20 0.37
▸ CREBBP Q92793 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36

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
SCHEMBL352131 0.84 OGT (0.53) OGTNOS1NOS2NOS3LMNA
SCHEMBL25394607 0.73 OGT (0.37) OGTNOS1NOS2NOS3LMNA
SCHEMBL18792569 0.72 OGT (0.48) OGTNOS1NOS2NOS3LMNA
Benzoxazolinone SCHEMBL9110846 0.70 OGT (1.00) OGTNOS1NOS2NOS3LMNA
Benzoxazolinone SCHEMBL19555 0.70 OGT (1.00) OGTNOS1NOS2NOS3LMNA
Benzoxazolinone SCHEMBL3927631 0.70 OGT (1.00) OGTNOS1NOS2NOS3LMNA
Benzoxazolinone SCHEMBL29475399 0.70 OGT (1.00) OGTNOS1NOS2NOS3LMNA
Benzoxazolinone SCHEMBL28598217 0.68 OGT (0.95) OGTNOS1NOS2NOS3LMNA
Benzoxazolinone SCHEMBL3650873 0.68 OGT (0.95) OGTNOS1NOS2NOS3LMNA
Benzoxazolinone SCHEMBL28920994 0.68 OGT (0.95) OGTNOS1NOS2NOS3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210198252-A1 SMYD INHIBITORS EPIZYME INC (US) 2021-07-01 — — US claimed
US-20200048195-A1 SUBSTITUTED PYRROLIDINE CARBOXAMIDE COMPOUNDS Epizyme, Inc. 2020-02-13 — — US claimed
US-20190322660-A1 SMYD INHIBITORS Epizyme, Inc. 2019-10-24 — — US claimed
EP-2912037-B1 2-AMINOPYRIDINE COMPOUNDS MERCK PATENT GMBH (DE) 2018-08-22 — — EP claimed
US-20180222838-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2018-08-09 — — US claimed
US-9926319-B2 Pyridyl piperidines MERCK PATENT GMBH (DE) 2018-03-27 — — US claimed
US-20170355695-A1 SMYD Inhibitors Epizyme, Inc. (US) 2017-12-14 — — US claimed
US-9834541-B2 2-aminopyridine compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2017-12-05 — — US claimed
US-20170247326-A1 Substituted Pyrrolidine Carboxamide Compounds Epizyme, Inc. (US) 2017-08-31 — — US claimed
EP-3193600-A1 SMYD INHIBITORS Epizyme, Inc. (US) 2017-07-26 — — EP claimed
US-6030969-A ADENOSINE KINASE INHIBITORS; ANTIISCHEMIA,-INFLAMMATORY, -DIABETIC AGENTS; NEUROLOGICAL AND GASTROINTESTINAL DISORDERS; NOCIPERCEPTION, IMMUNOSUPPRESSION; SEPSIS ABBOTT LABORATORIES (US) 2000-02-29 — — US claimed
EP-0979230-A1 6,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS Abbott Laboratories (US) 2000-02-16 — — EP claimed
EP-0975633-A1 5,6,7-TRISUBSTITUTED-4-AMINOPYRIDOL 2,3-D]PYRIMIDINE COMPOUNDS Abbott Laboratories (US) 2000-02-02 — — EP claimed
WO-1999038865-A1 8-AZABICYCLO(3.2.1)OCT-2-ENE DERIVATIVES AS PESTICIDES ZENECA LIMITED (GB) 1999-08-05 — — WO claimed
WO-1998046604-A1 5,6,7-TRISUBSTITUTED-4-AMINOPYRIDOL[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 1998-10-22 — — WO claimed
WO-1998046603-A1 6,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 1998-10-22 — — WO claimed
US-5502204-A REACTING WITH ETHYLENE OXIDE DERIVATIVE NIHON BAYER AGROCHEM K.K. (JP) 1996-03-26 — — US claimed
EP-0462830-B1 Cyclic ether derivatives ZENECA LTD (GB) 1995-10-18 — — EP claimed
EP-0462830-A2 Cyclic ether derivatives ZENECA LIMITED (GB) 1991-12-27 — — EP claimed
US-4775747-A PIGMENTS FOR POLYMERS CIBA-GEIGY CORPORATION (US) 1988-10-04 — — US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20170355695-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 OGT 4222/4885NOS1 4278/4885NOS2 3959/4885
US-20210198252-A1 SMYD INHIBITORS SMYD3, SMYD2, SMURF2 OGT 4202/4885NOS1 4325/4885NOS2 4039/4885
US-20170247326-A1 Substituted Pyrrolidine Carboxamide Compounds SMYD3, SMYD2, SMURF2 OGT 4686/4885NOS1 4015/4885NOS2 3281/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 OGT 4371/4885NOS1 4051/4885NOS2 3705/4885
US-20200048195-A1 SUBSTITUTED PYRROLIDINE CARBOXAMIDE COMPOUNDS SMYD3, SMYD2, SMURF2 OGT 4686/4885NOS1 4015/4885NOS2 3281/4885
US-20180222838-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, AADAT OGT 2213/4885NOS1 1062/4885NOS2 1326/4885

“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.

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