SCHEMBL5095301

SCHEMBL5095301

O=C(NCCO)c1ccc2ccccc2n1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.73
HPGD P15428 1/20 0.73
KDM4C Q9H3R0 1/20 0.69
MAPT P10636 5/20 0.68
GAA P10253 1/20 0.68
HDAC8 Q9BY41 1/20 0.65
SMN1; SMN2 Q16637 4/20 0.61
RAB9A P51151 3/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
NPC1 O15118 2/20 0.61
OPRM1 P35372 1/20 0.61
OPRK1 P41145 1/20 0.61
TMEM97 Q5BJF2 1/20 0.61
SIGMAR1 Q99720 1/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
ATM Q13315 1/20 0.61
RCE1 Q9Y256 1/20 0.60
NFKB1 P19838 1/20 0.59
NFKB2 Q00653 1/20 0.59

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
SCHEMBL19380241 0.87 ALDH1A1 (0.69) ALDH1A1HPGDKDM4CMAPTGAA
SCHEMBL10288646 0.87 ALDH1A1 (0.74) ALDH1A1HPGDKDM4CMAPTGAA
SCHEMBL10243011 0.84 ALDH1A1 (0.70) ALDH1A1HPGDKDM4CMAPTGAA
SCHEMBL13073430 0.84 MEN1 (0.74) ALDH1A1HPGDKDM4CMAPTGAA
SCHEMBL16492626 0.84 ALDH1A1 (0.66) ALDH1A1HPGDKDM4CMAPTGAA
SCHEMBL1742676 0.83 KDM4C (0.69) ALDH1A1HPGDKDM4CMAPTGAA
SCHEMBL22819412 0.83 KDM4C (0.69) ALDH1A1HPGDKDM4CMAPTGAA
SCHEMBL28514763 0.83 ALDH1A1 (0.68) ALDH1A1HPGDKDM4CMAPTGAA
SCHEMBL9796585 0.82 ALDH1A1 (0.67) ALDH1A1HPGDKDM4CMAPTGAA
SCHEMBL31047592 0.82 ALDH1A1 (0.67) ALDH1A1HPGDKDM4CMAPTGAA

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263774-B2 Quinoline-oxazoline compounds and their use in oxidation synthesis UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2012-09-11 US disclosed
US-8263774-B2 Quinoline-oxazoline compounds and their use in oxidation synthesis UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2012-09-11 US disclosed
US-20110054176-A1 QUINOLINE-OXAZOLINE COMPOUNDS AND THEIR USE IN OXIDATION SYNTHESIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-03-03 US disclosed
US-20110054176-A1 QUINOLINE-OXAZOLINE COMPOUNDS AND THEIR USE IN OXIDATION SYNTHESIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-03-03 US disclosed
US-7470794-B2 Preparation and use of ortho-sulfonamido aryl hydroxamic acids as matrix metalloproteinase inhibitors WYETH (US) 2008-12-30 US disclosed
US-20050085504-A1 Preparation and use of ortho-sulfonamido aryl hydroxamic acids as matrix metalloproteinase inhibitors WYETH (US) 2005-04-21 US disclosed
US-6825352-B2 ANTIARTHRITIC, ANTITUMOR, ANTIMETASTASIS, ANTIULCER, AND WOUND HEALING AGENTS; BONE, NERVOUS SYSTEM, DEGENERATIVE JOINT DISORDERS; PROTEINURIA, ANEURYSMS, HUMAN IMMUNODEFICIENCY VIRUS (HIV) INFECTIONS WYETH 2004-11-30 US disclosed
CN-1411446-A Ortho-sulfonamido aryl hydroxamic acids, process for their preparation and their use as matrix metalloproteinase inhibitors WYETH CORP (US) 2003-04-16 CN disclosed
US-20030035332-A1 The preparation and use of ortho-sulfonamido arylhydroxamic acids as matrix metalloproteinase inhibitors WYETH 2003-02-20 US disclosed
EP-1259488-A1 ORTHO-SULFONAMIDO ARYL HYDROXAMIC ACIDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MATRIX METALLOPROTEINASE INHIBITORS Wyeth (US) 2002-11-27 EP disclosed
US-20020169184-A1 PREPARATION AND USE OF ORTHO-SULFONAMIDO ARYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE INHIBITORS AMERICAN HOME PRODUCTS CORPORATION (US) 2002-11-14 US disclosed
US-6465508-B1 NONPEPTIDE INHIBITORS OF GELATINASES, STROMELYSINS AND COLLA-GENASES; ARTHRITIS, TUMOR METASTASIS, TISSUE ULCERATION, ABNORMAL WOUND HEALING, PERIODONTAL DISEASE, BONE DISEASE, PROTEINURIA, ANEURYSMAL AORTIC DISEASE, HIV WYETH 2002-10-15 US disclosed
WO-2001062733-A1 ORTHO-SULFONAMIDO ARYL HYDROXAMIC ACIDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MATRIX METALLOPROTEINASE INHIBITORS WYETH (US) 2001-08-30 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 (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-20110054176-A1 QUINOLINE-OXAZOLINE COMPOUNDS AND THEIR USE IN OXIDATION SYNTHESIS XDH, OXA1L, AOX1 ALDH1A1 421/4885HPGD 396/4885KDM4C 756/4885
US-20020169184-A1 PREPARATION AND USE OF ORTHO-SULFONAMIDO ARYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE INHIBITORS MMP1, MMP7, MMP2 ALDH1A1 1377/4885HPGD 239/4885KDM4C 3268/4885
US-20050085504-A1 Preparation and use of ortho-sulfonamido aryl hydroxamic acids as matrix metalloproteinase inhibitors MMP1, MMP7, MMP2 ALDH1A1 1377/4885HPGD 239/4885KDM4C 3268/4885

“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.