Sugi Predict

Sugi Predict / Compounds / SCHEMBL4401250

SCHEMBL4401250

SCHEMBL4401250

CN(C)c1ccc(O)c(C=O)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 13/20 0.52
▸ CYP2A6 P11509 1/20 0.47
▸ CYP2A13 Q16696 1/20 0.47
▸ CDK1 P06493 1/20 0.46
▸ TRIM24 O15164 1/20 0.43
▸ TRIM33 Q9UPN9 1/20 0.43
▸ G6PD P11413 1/20 0.42
▸ CCR6 P51684 1/20 0.42
▸ HKDC1 Q2TB90 1/20 0.42

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
SCHEMBL29954002 1.00 ERN1 (0.52) ERN1CYP2A6CYP2A13CDK1TRIM24
SCHEMBL2066079 0.85 ERN1 (0.65) ERN1
SCHEMBL1001895 0.84 TYR (0.52) CYP2A6CYP2A13TRIM24TRIM33
SCHEMBL29446225 0.84 TYR (0.52) CYP2A6CYP2A13TRIM24TRIM33
SCHEMBL24254467 0.80 HSP90AA1 (0.48) ERN1CDK1TRIM24TRIM33CCR6
SCHEMBL15391520 0.80 KDM4E (0.42) ERN1CYP2A6CYP2A13TRIM24TRIM33
SCHEMBL31093452 0.80 KDM4E (0.42) ERN1CYP2A6CYP2A13TRIM24TRIM33
SCHEMBL31268246 0.79 ALDH1A1 (0.57) ERN1CDK1
SCHEMBL5462848 0.79 ALDH1A1 (0.57) ERN1CDK1
SCHEMBL27994638 0.78 CYP2A6 (0.45) CYP2A6CYP2A13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111875513-B Resveratrol A ring N (CH) 3 ) 2 Base derivatives, preparation method and application thereof 湖南省人民医院 2022-12-30 — — CN disclosed
CN-111875513-A Resveratrol A ring N (CH)3)2Base derivatives, preparation method and application thereof 湖南省人民医院 2020-11-03 — — CN disclosed
CN-109180693-A Spiro-pyrans and spirooxazine class compound and preparation method thereof 苏州健雄职业技术学院 2019-01-11 — — CN disclosed
EP-2927215-A1 Copper chelators Farma-Derma S.R.L. (IT) 2015-10-07 — — EP disclosed
EP-2927215-A1 Copper chelators Farma-Derma S.R.L. (IT) 2015-10-07 — — EP disclosed
US-20140335019-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT AND ANALYSIS OF NEUROLOGICAL DISORDERS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2014-11-13 — — US disclosed
CN-102274755-B Heterogeneous catalyst for synthesis of phenol, and preparation method and application thereof UNIV HUNAN SCI & TECHNOLOGY 2013-01-23 — — CN disclosed
US-7576241-B2 Derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them IPSEN PHARMA S.A.S. (FR) 2009-08-18 — — US disclosed
US-7473779-B2 Derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-01-06 — — US disclosed
CN-100406449-C CDC25 phosphatase inhibitors SOD CONSEILS RECH APPLIC (FR) 2008-07-30 — — CN disclosed
EP-1318149-A1 Amidine derivatives, their preparation and application as medicines and pharmaceutical compositions containing them Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2003-06-11 — — EP disclosed
US-6562775-B2 Using peroxy cmpound detergents CIBA SPECIALTY CHEMICALS CORPORATION 2003-05-13 — — US disclosed
US-6486110-B2 MANGANESE COMPLEXES OF HYDROXYBENZENES OR HYDROXY-BENZO(IJ)QUINOLIZINES CONNECTED BY A DIIMINE BRIDGE IN 1,2-CONFIGURATION WITH THE HYDROXYL GROUP; PREVENTING DYE TRANSFER DURING LAUNDERING CIBA SPECIALTY CHEMICALS CORPORATION 2002-11-26 — — US disclosed
US-20020119899-A1 Fabric care method BACHMANN FRANK (DE) 2002-08-29 — — US disclosed
WO-2002009686-A2 CDC25 PHOSPHATASE INHIBITORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUE (S.C.R.A.S.) (FR) 2002-02-07 — — WO disclosed
US-20010053755-A1 Manganese complexes of hydroxybenzenes or hydroxy-benzo(ij)quinolizines connected by a diimine bridge in 1,2-configuration with the hydroxyl group; preventing dye transfer during laundering BACHMANN FRANK (DE) 2001-12-20 — — US disclosed
EP-1115719-A2 NOVEL AMIDINE DERIVATIVES, THEIR PREPARATION AND APPLICATION AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2001-07-18 — — EP disclosed
WO-2000017190-A2 AMIDINE DERIVATIVES, THEIR PREPARATION AND APPLICATION AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2000-03-30 — — WO disclosed
EP-0902083-A1 Fabric care method Ciba SC Holding AG (CH) 1999-03-17 — — EP disclosed
CN-1210919-A Fabric care method CIBA SC HOLDING AG (CH) 1999-03-17 — — CN 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 (1 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-20140335019-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT AND ANALYSIS OF NEUROLOGICAL DISORDERS PSEN1, PSEN2, APP ERN1 2884/4885CYP2A6 3231/4885CYP2A13 2694/4885

“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.