Sugi Predict

Sugi Predict / Compounds / SCHEMBL907809

SCHEMBL907809

SCHEMBL907809

CN(C)C[C@@H](O)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 2/20 0.70
▸ HTR2A P28223 2/20 0.64
▸ HRH1 P35367 2/20 0.64
▸ TDP1 Q9NUW8 1/20 0.61
▸ SLC6A2 P23975 7/20 0.60
▸ SLC6A4 P31645 7/20 0.60
▸ SLC6A3 Q01959 7/20 0.60
▸ LMNA P02545 1/20 0.58
▸ KDM4E B2RXH2 2/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ TAAR1 Q96RJ0 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ RIPK1 Q13546 1/20 0.48
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47

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
SCHEMBL804251 1.00 AOC3 (0.70) AOC3HTR2AHRH1TDP1SLC6A2
SCHEMBL907640 1.00 AOC3 (0.70) AOC3HTR2AHRH1TDP1SLC6A2
Hydrochloric Acid SCHEMBL7244349 0.98 AOC3 (0.68) AOC3HTR2AHRH1TDP1SLC6A2
SCHEMBL1729047 0.89 AOC3 (0.58) AOC3HTR2AHRH1TDP1SLC6A2
SCHEMBL6284970 0.84 AOC3 (0.68) AOC3HTR2AHRH1TDP1SLC6A2
SCHEMBL12993183 0.84 AOC3 (0.68) AOC3HTR2AHRH1TDP1SLC6A2
SCHEMBL6744933 0.83 AOC3 (1.00) AOC3LMNA
SCHEMBL20356794 0.82 AOC3 (0.59) AOC3HTR2AHRH1TDP1SLC6A2
SCHEMBL22807616 0.81 AOC3 (0.63) AOC3HTR2AHRH1TDP1SLC6A2
SCHEMBL9729386 0.81 AOC3 (0.63) AOC3HTR2AHRH1TDP1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190046515-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2019-02-14 — — US disclosed
US-10130619-B2 Amido thiadiazole derivatives as NADPH oxidase inhibitors GENKYOTEX SUISSE SA (CH) 2018-11-20 — — US disclosed
US-20170348296-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SUISSE SA (CH) 2017-12-07 — — US disclosed
EP-3034500-A1 Amido thiazole derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2016-06-22 — — EP disclosed
EP-1979356-B1 CARBONYLAMINO PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS PFIZER PROD INC (US) 2013-09-18 — — EP disclosed
EP-1979356-B1 CARBONYLAMINO PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS PFIZER PROD INC (US) 2013-09-18 — — EP disclosed
US-8530652-B2 Pyrrolopyrazoles, potent kinase inhibitors AGOURON PHARMACEUTICALS, INC. (US) 2013-09-10 — — US disclosed
US-8530652-B2 Pyrrolopyrazoles, potent kinase inhibitors AGOURON PHARMACEUTICALS, INC. (US) 2013-09-10 — — US disclosed
US-8530652-B2 Pyrrolopyrazoles, potent kinase inhibitors AGOURON PHARMACEUTICALS, INC. (US) 2013-09-10 — — US disclosed
CN-101460448-B Carbonyl asymmetric alkylation SANDOZ AG 2013-05-15 — — CN disclosed
WO-2007072153-A2 CARBONYLAMINO PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS PFIZER PRODUCTS INC. (US) 2007-06-28 — — WO disclosed
WO-2006072831-A1 PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS PFIZER INC. (US) 2006-07-13 — — WO disclosed
US-20030045727-A1 Process for preparing optically active secondary alcohols having nitrogenous or oxygenic functional groups ASAHI KASEI KABUSHIKI KAISHA (JP) 2003-03-06 — — US disclosed
EP-1254885-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE SECONDARY ALCOHOLS HAVING NITROGENOUS OR OXYGENIC FUNCTIONAL GROUPS Asahi Kasei Kabushiki Kaisha (JP) 2002-11-06 — — EP disclosed
EP-0427168-A1 Optical isomer of triazolylpentenols, and their production and use as fungicide, herbicide and/or plant growth regulant SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-05-15 — — EP disclosed
EP-0054431-B1 OPTICAL ISOMER OF A TRIAZOLYLPENTENOL, AND ITS PRODUCTION AND USE AS FUNGICIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-03-04 — — EP disclosed
EP-0175278-A2 Optical isomer of triazolylpentenols, and their production and use as fungicide herbicide and/or plant growth regulant SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-03-26 — — EP disclosed
EP-0121284-A2 (+)-Triazolylpentenol derivative, its production and use as herbicide and/or plant growth regulant SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-10-10 — — EP disclosed
US-4435203-A 1-(4-CHLORO- OR 2,4-DICHLORO-PHENYL)-2-(1,2,4-TRIAZOL-1-YL)-4,4-DIMETHYLPENT-1-EN-3-OL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-03-06 — — US disclosed
EP-0054431-A1 Optical isomer of a triazolylpentenol, and its production and use as fungicide SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-06-23 — — EP 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 (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-20170348296-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS NOX1, NOX5, CYBB AOC3 111/4885HTR2A 4176/4885HRH1 942/4885
US-20190046515-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS NOX1, NOX5, CYBB AOC3 111/4885HTR2A 4176/4885HRH1 942/4885
US-20030045727-A1 Process for preparing optically active secondary alcohols having nitrogenous or oxygenic functional groups ADH1A, ADH5, ADH1C AOC3 91/4885HTR2A 2745/4885HRH1 153/4885
US-10130619-B2 Amido thiadiazole derivatives as NADPH oxidase inhibitors NOX1, NOX5, CYBB AOC3 111/4885HTR2A 4176/4885HRH1 942/4885

“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.