SCHEMBL3576266

SCHEMBL3576266

COC(=O)c1cccc2nc(S)oc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPT P10636 2/20 0.46
CETP P11597 1/20 0.45
KMT2A Q03164 3/20 0.45
GAA P10253 1/20 0.45
ATM Q13315 1/20 0.45
LMNA P02545 2/20 0.43
PLIN1 O60240 1/20 0.43
GLA P06280 1/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
PLIN5 Q00G26 1/20 0.43
MCL1 Q07820 1/20 0.43
ABHD5 Q8WTS1 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ESR2 Q92731 1/20 0.42
ESR1 P03372 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
SCHEMBL6212728 0.83 DHODH (0.44) KDM4EALDH1A1MAPTKMT2AESR1
SCHEMBL28853579 0.82 KDM4E (0.42) KDM4EALDH1A1MAPTCETPKMT2A
SCHEMBL1201264 0.82 ALDH1A1 (0.47) KDM4EALDH1A1MAPTCETPKMT2A
SCHEMBL2826621 0.82 KDM4E (0.51) KDM4EALDH1A1MAPTCETPKMT2A
SCHEMBL6239005 0.81 DHODH (0.60) KDM4EALDH1A1MAPTKMT2ALMNA
SCHEMBL6212885 0.81 ESR2 (0.39) KDM4EALDH1A1MAPTKMT2ALMNA
SCHEMBL4321234 0.79 ELANE (0.47) KDM4EALDH1A1MAPTCETPKMT2A
SCHEMBL9126988 0.78 DHODH (0.70) KDM4EALDH1A1MAPTCETPKMT2A
SCHEMBL205602 0.76 CETP (0.61) KDM4EALDH1A1MAPTCETPATM
SCHEMBL204884 0.76 CETP (0.56) KDM4EALDH1A1MAPTCETPKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115124485-B Sulfoxide-containing benzoxazole derivative, and preparation method and application thereof 中国医学科学院药物研究所 2023-12-15 CN disclosed
CN-115124485-A Benzoxazole derivatives containing sulfoxide as well as preparation method and application thereof 中国医学科学院药物研究所 2022-09-30 CN disclosed
US-7645753-B2 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
EP-1858901-B1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2008-11-05 EP disclosed
US-7414066-B2 Amide compounds and medications containing the same technical field KOWA COMPANY LTD. (JP) 2008-08-19 US disclosed
US-7393866-B2 Amide compounds and medications containing the same KOWA COMPANY, LTD. (JP) 2008-07-01 US disclosed
EP-1858901-A1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2007-11-28 EP disclosed
WO-2006094682-A1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-09-14 WO disclosed
US-20060205718-A1 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-09-14 US disclosed
EP-0979823-B1 NOVEL AMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME KOWA CO (JP) 2006-03-29 EP disclosed
EP-1098894-B1 FKBP INHIBITORS PFIZER LTD (GB) 2002-10-02 EP disclosed
US-20020099074-A1 Novel anilide compounds and drugs containing the same KOWA COMPANY, LTD.,JAPAN 2002-07-25 US disclosed
US-6362208-B1 ANTICHOLESTEROL AGENT KOWA COMPANY, LTD. (JP) 2002-03-26 US disclosed
EP-1098894-A1 FKBP INHIBITORS Pfizer Limited (GB) 2001-05-16 EP disclosed
US-6166011-A FKBP inhibitors PFIZER INC (US) 2000-12-26 US disclosed
EP-1020451-A1 NOVEL ANILIDE COMPOUNDS AND DRUGS CONTAINING THE SAME Kowa Co., Ltd. (JP) 2000-07-19 EP disclosed
CN-1258283-A Cyclic diamine compounds and medicine contg. same KOWA CO (JP) 2000-06-28 CN disclosed
EP-0987254-A1 NOVEL CYCLIC DIAMINE COMPOUNDS AND MEDICINE CONTAINING THE SAME Kowa Co., Ltd. (JP) 2000-03-22 EP disclosed
EP-0979823-A1 NOVEL AMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME Kowa Company Ltd. (JP) 2000-02-16 EP disclosed
WO-2000005231-A1 FKBP INHIBITORS PFIZER LIMITED (GB) 2000-02-03 WO 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 (2 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-20020099074-A1 Novel anilide compounds and drugs containing the same SOAT1, SOAT2, LCAT KDM4E 579/4885ALDH1A1 236/4885MAPT 1100/4885
US-20060205718-A1 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives SSTR5, SSTR1, SSTR2 KDM4E 3736/4885ALDH1A1 934/4885MAPT 3021/4885

“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.