SCHEMBL1905334

SCHEMBL1905334

CCOC(=O)c1cnc2nc(C)ccc2c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
RAB9A P51151 4/20 0.46
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 6/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
ATM Q13315 1/20 0.44
KDM4E B2RXH2 4/20 0.43
TSHR P16473 2/20 0.43
TP53 P04637 2/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
HSP90AA1 P07900 1/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
XBP1 P17861 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
SCHEMBL9874630 0.86 KMT2A (0.50) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL8327448 0.86 NPC1 (0.44) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL16925649 0.86 LCK (0.40) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL1906531 0.85 ALDH1A1 (0.44) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL29843352 0.85 KMT2A (0.44) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL23145042 0.85 KMT2A (0.44) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL2022576 0.85 KMT2A (0.60) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL11791687 0.85 KMT2A (0.48) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL8568056 0.83 KDM4E (0.49) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL11331742 0.82 MAPK8 (0.43) KMT2AMEN1RAB9ANPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160068527-A1 The Treatment of Inflammatory Disorders CRESSET BIOMOLECULAR DISCOVERY LTD. (GB) 2016-03-10 US disclosed
US-20160068527-A1 The Treatment of Inflammatory Disorders CRESSET BIOMOLECULAR DISCOVERY LTD. (GB) 2016-03-10 US disclosed
US-8455477-B2 Therapeutic compounds MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-20110207711-A1 Therapeutic Compounds MSD K.K. (JP) 2011-08-25 US disclosed
EP-2320907-A1 THERAPEUTIC COMPOUNDS Merck & Co., Inc. (US) 2011-05-18 EP disclosed
WO-2010017047-A1 THERAPEUTIC COMPOUNDS MERCK & CO., INC. (US) 2010-02-11 WO disclosed
EP-1021413-B1 THE PREPARATION AND USE OF ORTHO-SULFONAMIDO BICYCLIC HETEROARYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE AND TACE INHIBITORS WYETH CORP (US) 2003-06-11 EP disclosed
US-6548524-B2 Preparation and use of ortho-sulfonamido bicyclic heteroaryl hydroxamic acids as matrix metalloproteinase and TACE inhibitors AMERICAN CYANAMID COMPANY 2003-04-15 US disclosed
US-6534491-B2 Preparation and use of ortho-sulfonamido bicyclic heteroaryl hydroxamic acids as matrix metalloproteinase and tace inhibitors AMERICAN CYANAMID COMPANY 2003-03-18 US disclosed
US-6498167-B2 NITROGEN CONTAINING BICYCLIC HETEROAROMATIC COMPOUND CONTAINING SULFONAMIDE AND HYDROXYAMIDE GROUPS, USEFUL IN TREATMENT OF ARTHRITIS, TUMOR METASTASIS, TISSUE ULCERATION, ABNORMAL WOUND HEALING, BONE DISEASE AND HIV INFECTIONS AMERICAN CYANAMID COMPANY 2002-12-24 US disclosed
US-20010025047-A1 Preparation and use of ortho-sulfonamido bicyclic heteroaryl hydroxamic acids as matrix metalloproteinase and tace inhibitors WYETH HOLDINGS CORPORATION 2001-09-27 US disclosed
US-6228869-B1 ANTITUMOR, ANTIMETASTASIS, ANTIARTHRITIC, AND WOUND HEALING AGENTS; QUINOLINE AND ISOQUINOLINE DERIVATIVES AMERICAN CYANAMID COMPANY 2001-05-08 US disclosed
EP-1021413-A1 THE PREPARATION AND USE OF ORTHO-SULFONAMIDO BICYCLIC HETEROARYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE AND TACE INHIBITORS American Cyanamid Company (US) 2000-07-26 EP disclosed
WO-1999018076-A1 THE PREPARATION AND USE OF ORTHO-SULFONAMIDO BICYCLIC HETEROARYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE AND TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 1999-04-15 WO disclosed
EP-0705260-B1 CONDENSED 4-AMINOPYRIDINES WITH ANTIRHEUMATIC ACTIVITY KNOLL AG (DE) 1999-03-03 EP disclosed
US-5780482-A TREATING RHEUMATIC DISEASES KNOLL AKTIENGESELLSCHAFT (DE) 1998-07-14 US disclosed
EP-0705260-A1 CONDENSED 4-AMINOPYRIDINES WITH ANTIRHEUMATIC ACTIVITY KNOLL AKTIENGESELLSCHAFT (DE) 1996-04-10 EP disclosed
WO-1995000511-A1 CONDENSED 4-AMINOPYRIDINES WITH ANTIRHEUMATIC ACTIVITY KNOLL AG (DE) 1995-01-05 WO disclosed
US-4166817-A Penicillins BEECHAM GROUP LIMITED (GB) 1979-09-04 US disclosed
US-3963736-A Preparation of 1-(lower alkyl)-1,4-dihydro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acids SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-06-15 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-20110207711-A1 Therapeutic Compounds WEE2, MARK3, WEE1 KMT2A 2181/4885MEN1 1277/4885RAB9A 2116/4885
US-20010025047-A1 Preparation and use of ortho-sulfonamido bicyclic heteroaryl hydroxamic acids as matrix metalloproteinase and tace inhibitors MSR1, TIMP3, TGFBR2 KMT2A 3333/4885MEN1 4366/4885RAB9A 3492/4885
US-20160068527-A1 The Treatment of Inflammatory Disorders NRDC, RORC, NR2E3 KMT2A 2979/4885MEN1 4235/4885RAB9A 2445/4885

“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.