Sugi Predict

Sugi Predict / Compounds / SCHEMBL3255043

SCHEMBL3255043

SCHEMBL3255043

COC(=O)[C@@H](OC)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.64
▸ ALDH1A1 P00352 5/20 0.56
▸ GAA P10253 2/20 0.56
▸ L3MBTL1 Q9Y468 4/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ LMNA P02545 2/20 0.51
▸ PKM P14618 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ RECQL P46063 1/20 0.50
▸ RAB9A P51151 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ KEAP1 Q14145 1/20 0.48
▸ NFE2L2 Q16236 1/20 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
SCHEMBL13848573 1.00 KMT2A (0.64) KMT2AALDH1A1GAAL3MBTL1SMN1; SMN2
SCHEMBL3255039 1.00 KMT2A (0.64) KMT2AALDH1A1GAAL3MBTL1SMN1; SMN2
SCHEMBL4059785 0.88 KMT2A (0.53) KMT2AALDH1A1GAAL3MBTL1SMN1; SMN2
SCHEMBL10903458 0.84 KMT2A (0.50) KMT2AALDH1A1GAAL3MBTL1SMN1; SMN2
SCHEMBL7701652 0.84 KMT2A (0.60) KMT2AALDH1A1GAAL3MBTL1SMN1; SMN2
SCHEMBL1521123 0.84 KMT2A (0.60) KMT2AALDH1A1GAAL3MBTL1SMN1; SMN2
SCHEMBL7701655 0.84 KMT2A (0.60) KMT2AALDH1A1GAAL3MBTL1SMN1; SMN2
SCHEMBL9539620 0.83 ALDH1A1 (0.54) KMT2AALDH1A1GAAL3MBTL1SMN1; SMN2
SCHEMBL155984 0.83 ALDH1A1 (0.54) KMT2AALDH1A1GAAL3MBTL1SMN1; SMN2
SCHEMBL103235 0.83 ALDH1A1 (0.54) KMT2AALDH1A1GAAL3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10695342-B2 Methods and compositions for preventing opioid abuse ALBANY MOLECULAR RESEARCH, INC. (US) 2020-06-30 — — US disclosed
US-10207993-B2 Compounds as anti-tubercular agents SPHAERA PHARMA PVT. LTD. (IN) 2019-02-19 — — US disclosed
US-20170334851-A1 NOVEL COMPOUNDS AS ANTI-TUBERCULAR AGENTS SPHAERA PHARMA PVT. LTD. (IN) 2017-11-23 — — US disclosed
US-20170157116-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE CURIA BUFFALO R&D, LLC 2017-06-08 — — US disclosed
US-9206107-B2 Method for producing carboxylic acid and alcohol by hydrolysis of ester NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2015-12-08 — — US disclosed
US-9206107-B2 Method for producing carboxylic acid and alcohol by hydrolysis of ester NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2015-12-08 — — US disclosed
US-20140378692-A1 METHOD FOR PRODUCING CARBOXYLIC ACID AND ALCOHOL BY HYDROLYSIS OF ESTER NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-12-25 — — US disclosed
US-20140378692-A1 METHOD FOR PRODUCING CARBOXYLIC ACID AND ALCOHOL BY HYDROLYSIS OF ESTER NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-12-25 — — US disclosed
US-7741493-B2 4,5-diphenyl-2-amino-4,5-dihydro-imidazole derivatives; antiinflammatory agent, neurodegenerative diseases; inflammatory bowel disease, rheumatoid arthritis and diseases associated with central nervous system, such as Alzheimer's disease AVENTIS PHARMACEUTICALS INC. (US) 2010-06-22 — — US disclosed
EP-1651613-B1 4,5-DIHYDRO-IMIDAZOLE AS P2X7 ION CHANNEL BLOCKERS AVENTIS PHARMA INC (US) 2010-05-26 — — EP disclosed
US-20080132550-A1 HETEROCYCLIC COMPOUNDS AS P2X7 ION CHANNEL BLOCKERS AVENTIS PHARMACEUTICALS INC. (US) 2008-06-05 — — US disclosed
US-7326792-B2 Heterocyclic compounds as P2X7 ion channel blockers AVENTIS PHARMACEUTICALS INC. (US) 2008-02-05 — — US disclosed
EP-1651613-A1 4,5-DIHYDRO-IMIDAZOLE AS P2X7 ION CHANNEL BLOCKERS Aventis Pharmaceuticals, Inc. (US) 2006-05-03 — — EP disclosed
WO-2005118548-A1 SUBSTITUTED 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2005-12-15 — — WO disclosed
WO-2005014555-A1 4,5-DIHYDRO-IMIDAZOLE AS P2X7 ION CHANNEL BLOCKERS AVENTIS PHARMACEUTICALS INC. (US) 2005-02-17 — — WO disclosed
US-20050026916-A1 Heterocyclic compounds as P2X7 ion channel blockers AVENTIS PHARMACEUTICALS INC. (US) 2005-02-03 — — 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 (7 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-10207993-B2 Compounds as anti-tubercular agents FNTB, G6PD, PGGT1B KMT2A 4608/4885ALDH1A1 193/4885GAA 123/4885
US-10695342-B2 Methods and compositions for preventing opioid abuse OPRM1, OPRK1, OPRD1 KMT2A 3110/4885ALDH1A1 66/4885GAA 470/4885
US-20080132550-A1 HETEROCYCLIC COMPOUNDS AS P2X7 ION CHANNEL BLOCKERS P2RX3, P2RX2, P2RX5 KMT2A 3229/4885ALDH1A1 1913/4885GAA 4232/4885
US-20170334851-A1 NOVEL COMPOUNDS AS ANTI-TUBERCULAR AGENTS FNTB, PGGT1B, GGPS1 KMT2A 4594/4885ALDH1A1 467/4885GAA 139/4885
US-20140378692-A1 METHOD FOR PRODUCING CARBOXYLIC ACID AND ALCOHOL BY HYDROLYSIS OF ESTER ADH5, ADH1C, ADH1A KMT2A 739/4885ALDH1A1 485/4885GAA 450/4885
US-20170157116-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE OPRM1, OPRK1, OPRD1 KMT2A 3110/4885ALDH1A1 66/4885GAA 470/4885
US-20050026916-A1 Heterocyclic compounds as P2X7 ion channel blockers P2RX3, P2RX2, P2RX5 KMT2A 3229/4885ALDH1A1 1913/4885GAA 4232/4885

“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.