Sugi Predict

Sugi Predict / Compounds / SCHEMBL57446

SCHEMBL57446

SCHEMBL57446

O=C1[CH]Cc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 5/20 0.46
▸ CES1 P23141 3/20 0.46
▸ MAOB P27338 3/20 0.43
▸ BCHE P06276 2/20 0.43
▸ CDC25B P30305 2/20 0.42
▸ IDO1 P14902 1/20 0.42
▸ AKT1 P31749 1/20 0.42
▸ SNCA P37840 1/20 0.42
▸ MAP2K1 Q02750 1/20 0.42
▸ PIN1 Q13526 1/20 0.42
▸ EHMT2 Q96KQ7 1/20 0.42
▸ NSD1 Q96L73 1/20 0.42
▸ EHMT1 Q9H9B1 1/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ ACHE P22303 2/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CYP2A6 P11509 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41

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
SCHEMBL30252635 0.76 MAOA (0.50) MAOACES1MAOBBCHECDC25B
SCHEMBL50865 0.76 MAOA (0.50) MAOACES1MAOBBCHECDC25B
SCHEMBL4455462 0.75 MAOA (0.48) MAOACES1MAOBBCHECDC25B
Hydrochloric Acid SCHEMBL2710069 0.75 MAOA (0.48) MAOACES1MAOBBCHECDC25B
Hydrochloric Acid SCHEMBL30537100 0.75 MAOA (0.48) MAOACES1MAOBBCHECDC25B
SCHEMBL3943765 0.73 MAOA (0.56) MAOACES1MAOBBCHECDC25B
SCHEMBL293463 0.73 MAOA (0.55) MAOACES1MAOBBCHECYP2A6
Bicarbonate SCHEMBL4535593 0.70 MAOA (0.43) MAOACES1MAOBBCHECDC25B
SCHEMBL9013355 0.70 KDM4E (0.39) MAOACES1MAOBBCHEKMT2A
SCHEMBL16795818 0.70 MAOA (0.36) MAOACES1MAOBBCHEKMT2A

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 1044 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020207352-A1 TRIAZINE BENZIMIDAZOLE COMPOUNDS AND MEDICAL USE THEREOF 四川科伦博泰生物医药股份有限公司 2020-10-15 — — WO claimed
US-10059705-B2 Acyclic cyanoethylpyrazolo pyridones as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2018-08-28 — — US claimed
EP-2976341-B1 ACYCLIC CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-02-28 — — EP claimed
EP-2496559-B1 ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE AND THEIR USE AS HSD 1 INHIBITORS VITAE PHARMACEUTICALS INC (US) 2018-01-10 — — EP claimed
EP-2945950-B1 ISOMANNIDE DERIVATIVES AS INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE SANOFI SA (FR) 2017-03-01 — — EP claimed
EP-2220048-B1 ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF BENZOMORPHANES AND RELATED SCAFFOLDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INT (DE) 2017-01-25 — — EP claimed
US-9540391-B2 Isomannide derivatives as inhibitors of soluble epoxide hydrolase SANOFI (FR) 2017-01-10 — — US claimed
US-20160272634-A1 ACYCLIC CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-09-22 — — US claimed
US-9328072-B2 Aryl-and heteroarylcarbonyl derivatives of hexahydroindenopyridine and octahydrobenzoquinoline VITAE PHARMACEUTICALS, INC. (US) 2016-05-03 — — US claimed
EP-2976341-A1 ACYCLIC CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-01-27 — — EP claimed
WO-2003028641-A2 MCH RECEPTOR ANTAGONISTS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2003-04-10 — — WO claimed
JP-2002541258-A — — 2002-12-03 — — JP claimed
WO-2002094824-A1 PYRIDOPYRIMIDINE COMPOUNDS AND THEIR USES CELL THERAPEUTICS, INC. (US) 2002-11-28 — — WO claimed
WO-2002068421-A2 TRICYCLIC COMPOUNDS AND THEIR ANALOGS AS INHIBITORS OF CYTOKINE SIGNALING CELL THERAPEUTICS, INC. (US) 2002-09-06 — — WO claimed
WO-2002068420-A1 XANTHINE DERIVATIVE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-09-06 — — WO claimed
US-20020103211-A1 TRICYCLIC FUSED XANTHINE COMPOUNDS AND THEIR USES CELL THERAPEUTICS, INC. 2002-08-01 — — US claimed
US-20020028823-A1 THERAPEUTIC COMPOUNDS FOR INHIBITING INTERLEUKIN-12 SIGNALING AND METHODS FOR USING SAME CELL THERAPEUTICS, INC. 2002-03-07 — — US claimed
EP-1171442-A1 XANTHINE DERIVATIVES AND ANALOGS AS CELL SIGNALLING INHIBITORS CELL THERAPEUTICS, INC. (US) 2002-01-16 — — EP claimed
WO-2000061583-A1 XANTHINE DERIVATIVES AND ANALOGS AS CELL SIGNALING INHIBITORS CELL THERAPEUTICS, INC. (US) 2000-10-19 — — WO claimed
US-5750575-A ANTIINFLAMMATORY AGENTS; IMMUNOSUPPRESSANTS; CYTOTOXIC AGENTS; MICROBIOCIDES; FUNGICIDES CELL THERAPEUTICS, INC. (US) 1998-05-12 — — 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 (4 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-20020028823-A1 THERAPEUTIC COMPOUNDS FOR INHIBITING INTERLEUKIN-12 SIGNALING AND METHODS FOR USING SAME CCR10, IL1RN, CCR1 MAOA 4170/4885CES1 427/4885MAOB 3969/4885
US-20160272634-A1 ACYCLIC CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS JAK1, JAK2, JAK3 MAOA 2815/4885CES1 2123/4885MAOB 3212/4885
US-10059705-B2 Acyclic cyanoethylpyrazolo pyridones as janus kinase inhibitors JAK1, JAK2, JAK3 MAOA 2815/4885CES1 2123/4885MAOB 3212/4885
US-20020103211-A1 TRICYCLIC FUSED XANTHINE COMPOUNDS AND THEIR USES XDH, MAVS, TPX2 MAOA 1912/4885CES1 1434/4885MAOB 1069/4885

“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.