SCHEMBL2452503

SCHEMBL2452503

NCc1c(O)ccc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 1.00
ALDH1A1 P00352 6/20 1.00
GAA P10253 6/20 1.00
MAPT P10636 5/20 1.00
TAAR1 Q96RJ0 1/20 1.00
HSD17B10 Q99714 3/20 0.70
CYP1A2 P05177 3/20 0.70
CYP2C9 P11712 2/20 0.70
CYP2C19 P33261 2/20 0.70
TDP1 Q9NUW8 2/20 0.59
GLA P06280 1/20 0.59
HPGD P15428 1/20 0.59
HTR2A P28223 1/20 0.57
PTPN22 Q9Y2R2 1/20 0.54
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
KMT2A Q03164 5/20 0.51
CYP2D6 P10635 2/20 0.51
HIF1A Q16665 2/20 0.51
LMNA P02545 1/20 0.51

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
SCHEMBL5823063 0.85 KDM4E (0.73) KDM4EALDH1A1GAAMAPTTAAR1
SCHEMBL36762 0.83 HSD17B10 (1.00) KDM4EALDH1A1GAAMAPTTAAR1
SCHEMBL29357214 0.83 HSD17B10 (1.00) KDM4EALDH1A1GAAMAPTTAAR1
SCHEMBL226196 0.83 HSD17B10 (0.76) KDM4EALDH1A1GAAMAPTTAAR1
SCHEMBL7356436 0.81 KDM4E (0.68) KDM4EALDH1A1GAAMAPTTAAR1
SCHEMBL761745 0.81 HSD17B10 (0.73) KDM4EALDH1A1GAAMAPTTAAR1
SCHEMBL11660676 0.79 HSD17B10 (0.70) KDM4EALDH1A1GAAMAPTTAAR1
SCHEMBL3361843 0.79 HSD17B10 (0.70) KDM4EALDH1A1GAAMAPTTAAR1
SCHEMBL4473108 0.79 HSD17B10 (0.70) KDM4EALDH1A1GAAMAPTTAAR1
SCHEMBL4019720 0.79 HSD17B10 (0.70) KDM4EALDH1A1GAAMAPTTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070066682-A1 Arylalkylamine vanadium (V) salts for the treatment and/or prevention of Diabetes mellitus GENMEDICA THERAPEUTICS SL (ES) 2007-03-22 US claimed
US-20220304958-A1 SMALL MOLECULE INHIBITORS OF A PROTEIN COMPLEX THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-09-29 US disclosed
CN-114349718-A Preparation method of thiadiazole derivative drug intermediate containing amino alkyl naphthol structure 南京苏亦欣医药科技有限公司 2022-04-15 CN disclosed
EP-2657214-B1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL MITSUBISHI GAS CHEMICAL CO (JP) 2017-02-15 EP disclosed
US-8993774-B2 Process for production of aromatic alcohol or heterocyclic aromatic alcohol MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2015-03-31 US disclosed
US-20130303775-A1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2013-11-14 US disclosed
EP-2657214-A1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL Mitsubishi Gas Chemical Company, Inc. (JP) 2013-10-30 EP disclosed
US-8013019-B2 Sulfonamide derivatives for the treatment of diseases PFIZER INC (US) 2011-09-06 US disclosed
US-8013019-B2 Sulfonamide derivatives for the treatment of diseases PFIZER INC (US) 2011-09-06 US disclosed
US-8013019-B2 Sulfonamide derivatives for the treatment of diseases PFIZER INC (US) 2011-09-06 US disclosed
US-5852221-A Optically active β-aminoalkoxyborane complex NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1998-12-22 US disclosed
US-5808098-A REDUCING AGENT FROM AMINOALCOHOL NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1998-09-15 US disclosed
EP-0680484-B1 OPTICALLY ACTIVE BETA-AMINOALKOXYBORANE COMPLEXES NISSAN CHEMICAL IND LTD (JP) 1998-08-19 EP disclosed
US-5786485-A REACTING OPTICALLY ACTIVE BETA-AMINOALCOHOL WITH BORANE REAGENT TO PRODUCE OPTICALLY ACTIVE BETA-AMINOALKOXYBORANE COMPLEX NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-07-28 US disclosed
US-5767277-A REDUCING AGENT FOR A CARBONYL COMPOUND TO PRODUCE A 1,3-SYN-DIOL COMPOUND NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1998-06-16 US disclosed
US-5739347-A REDUCING AGENTS FOR DECARBONYLATION NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1998-04-14 US disclosed
US-5663348-A REDUCTION OF DIKETONE WITH AMINOALKOXYBORANE COMPLEX TO FORM DIALCOHOL ESTER COMPOUND NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1997-09-02 US disclosed
EP-0680484-A1 OPTICALLY ACTIVE $g(b)-AMINOALKOXYBORANE COMPLEX NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1995-11-08 EP disclosed
WO-1994017079-A1 OPTICALLY ACTIVE β-AMINOALKOXYBORANE COMPLEX NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1994-08-04 WO disclosed
US-4327022-A Heterocyclic alkyl naphthols STERLING DRUG INC. (US) 1982-04-27 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 (3 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-20070066682-A1 Arylalkylamine vanadium (V) salts for the treatment and/or prevention of Diabetes mellitus GPR119, ABCC1, INSR KDM4E 1361/4885ALDH1A1 177/4885GAA 478/4885
US-20130303775-A1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL ADH1C, ADH1A, ADH5 KDM4E 1985/4885ALDH1A1 250/4885GAA 4030/4885
US-20220304958-A1 SMALL MOLECULE INHIBITORS OF A PROTEIN COMPLEX SERBP1, PPHLN1, VCAM1 KDM4E 1046/4885ALDH1A1 4523/4885GAA 4329/4885

“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.