SCHEMBL1023541

SCHEMBL1023541

CCOC(=O)C(=CNc1cccc(C)n1)C(=O)OCC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 1.00
KMT2A Q03164 3/20 1.00
MAPT P10636 3/20 0.76
KDM4E B2RXH2 1/20 0.76
CYP3A4 P08684 2/20 0.57
CYP2D6 P10635 2/20 0.57
NPSR1 Q6W5P4 3/20 0.56
DHODH Q02127 5/20 0.56
GAA P10253 3/20 0.56
CYP1A2 P05177 1/20 0.54
MAPK1 P28482 1/20 0.54
CYP2C19 P33261 1/20 0.54
LMNA P02545 1/20 0.51
STAT1 P42224 1/20 0.51
TDP1 Q9NUW8 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
RAB9A P51151 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
SCHEMBL11562497 0.93 MEN1 (0.87) MEN1KMT2AMAPTKDM4ECYP3A4
SCHEMBL10862774 0.93 MEN1 (0.86) MEN1KMT2AMAPTKDM4ECYP3A4
SCHEMBL2023577 0.86 MEN1 (0.76) MEN1KMT2AMAPTKDM4ECYP3A4
SCHEMBL23145074 0.85 MEN1 (0.74) MEN1KMT2AMAPTKDM4ECYP3A4
SCHEMBL31303161 0.85 MEN1 (0.74) MEN1KMT2AMAPTKDM4ECYP3A4
SCHEMBL2971649 0.84 MEN1 (0.72) MEN1KMT2AMAPTKDM4ECYP3A4
SCHEMBL2650761 0.83 MEN1 (0.70) MEN1KMT2AMAPTKDM4ECYP3A4
SCHEMBL10859330 0.80 MEN1 (0.67) MEN1KMT2AMAPTKDM4ECYP3A4
SCHEMBL9695791 0.80 MEN1 (0.67) MEN1KMT2AMAPTKDM4ECYP3A4
SCHEMBL1020567 0.80 MEN1 (0.67) MEN1KMT2AMAPTKDM4ECYP3A4

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 47 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
CN-104496986-A Preparation method of nalidixic acid SUZHOU YACOO CHEMICAL REAGENT CORP 2015-04-08 CN disclosed
US-8338605-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-12-25 US disclosed
US-8236950-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-08-07 US disclosed
US-20110160233-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 US disclosed
EP-2314590-A1 Substituted quinolones and methods of use ChemoCentryx, Inc. (US) 2011-04-27 EP disclosed
EP-1954274-B8 SUBSTITUTED QUINOLONES AND METHODS OF USE CHEMOCENTRYX INC (US) 2011-01-12 EP disclosed
EP-1954274-B1 SUBSTITUTED QUINOLONES AND METHODS OF USE CHEMOCENTRYX INC (US) 2010-11-03 EP disclosed
US-20100256139-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-10-07 US disclosed
EP-1979349-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2010-07-28 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-20020132826-A1 Preparation and use of ortho-sulfonamido bicyclic heteroaryl hydroxamic acids as matrix metalloproteinase and tace inhibitors WYETH HOLDINGS CORPORATION 2002-09-19 US disclosed
US-20010046989-A1 Preparation and use of ortho-sulfonamido bicyclic heteroaryl hydroxamic acids as matrix metalloproteinase and TACE inhibitors WYETH HOLDINGS CORPORATION 2001-11-29 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
US-4166817-A Penicillins BEECHAM GROUP LIMITED (GB) 1979-09-04 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 (6 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-20110160233-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 MEN1 4571/4885KMT2A 3566/4885MAPT 1347/4885
US-20020132826-A1 Preparation and use of ortho-sulfonamido bicyclic heteroaryl hydroxamic acids as matrix metalloproteinase and tace inhibitors MSR1, TIMP3, OGFR MEN1 4416/4885KMT2A 3640/4885MAPT 3867/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 MEN1 4571/4885KMT2A 3566/4885MAPT 1347/4885
US-20010025047-A1 Preparation and use of ortho-sulfonamido bicyclic heteroaryl hydroxamic acids as matrix metalloproteinase and tace inhibitors MSR1, TIMP3, TGFBR2 MEN1 4366/4885KMT2A 3333/4885MAPT 4095/4885
US-20160068527-A1 The Treatment of Inflammatory Disorders NRDC, RORC, NR2E3 MEN1 4235/4885KMT2A 2979/4885MAPT 912/4885
US-20010046989-A1 Preparation and use of ortho-sulfonamido bicyclic heteroaryl hydroxamic acids as matrix metalloproteinase and TACE inhibitors MSR1, TIMP3, TGFBR2 MEN1 4394/4885KMT2A 3415/4885MAPT 4061/4885

“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.