SCHEMBL6443449

SCHEMBL6443449

CC(C)(C)OC(=O)NNCc1ccc(C#N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.47
GAA P10253 1/20 0.47
PPARA Q07869 1/20 0.43
CTSS P25774 7/20 0.43
CTSK P43235 5/20 0.43
RAB9A P51151 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
EGLN2 Q96KS0 1/20 0.40
SAE1 Q9UBE0 1/20 0.40
UBA2 Q9UBT2 1/20 0.40
CYP19A1 P11511 1/20 0.40
ESRRG P62508 1/20 0.40
VNN1 O95497 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39

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
SCHEMBL30739037 0.86 GAA (0.47) GAACTSSCTSKCA12CA1
SCHEMBL3274015 0.85 EPHX2 (0.58) EPHX2LOXL2GAAPPARACTSS
SCHEMBL5106820 0.84 ERCC1 (0.44) CTSSCTSKCA12CA1CA7
SCHEMBL30525768 0.84 ERCC1 (0.44) CTSSCTSKCA12CA1CA7
SCHEMBL30739120 0.83 GAA (0.48) EPHX2GAACTSSCTSKCA12
SCHEMBL6445761 0.83 ESRRG (0.55) GAACTSSCTSKCA12CA1
SCHEMBL9971059 0.82 GAA (0.51) GAACTSSCTSKRAB9ACA12
SCHEMBL6236607 0.82 GAA (0.51) GAAPPARARAB9ACA12CA1
SCHEMBL18664430 0.82 PPARA (0.56) EPHX2LOXL2GAAPPARACTSS
SCHEMBL13903558 0.81 ESRRG (0.60) EPHX2GAARAB9ACA1ESRRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160115180-A1 Novel Super-Resolution Imaging Compositions and Methods Using Same YALE UNIVERSITY 2016-04-28 US disclosed
US-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US disclosed
EP-1525205-A2 NOVEL SUBSTITUTED PYRAZOLO( 1,5-A /I ]-1,3,5-TRIAZINE DERIVATIVES AND THEIR ANALOGUES, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, USE THEREOF AS MEDICINE AND METHODS FOR PREPARING SAME Greenpharma (FR) 2005-04-27 EP disclosed
WO-2004067522-A1 AZAPHENYLALANINE DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS LEK PHARMACEUTICALS D.D. (SI) 2004-08-12 WO disclosed
EP-1392315-A1 METHODS OF TREATING ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-03 EP disclosed
WO-2004011464-A2 NOVEL SUBSTITUTED PYRAZOLO[1,5 A]-1,3,5-TRIAZINE DERIVATIVES AND THEIR ANALOGUES, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, USE THEREOF AS MEDICINE AND METHODS FOR PREPARING SAME GREENPHARMA (FR) 2004-02-05 WO disclosed
WO-2002100410-A1 METHODS OF TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed
US-6214826-B1 NERVOUS SYSTEM DISORDERS ZENECA LIMITED (GB) 2001-04-10 US disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 US disclosed
US-5670497-A RETROVIRAL PROTEASE INHIBITORS CIBA-GEIGY CORPORATION (US) 1997-09-23 US disclosed
EP-0708760-A1 CYCLIC HYDRAZINE COMPOUNDS Novartis AG (CH) 1996-05-01 EP disclosed
WO-1995002582-A1 CYCLIC HYDRAZINE COMPOUNDS CIBA-GEIGY AG (CH) 1995-01-26 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-20160115180-A1 Novel Super-Resolution Imaging Compositions and Methods Using Same CERT1, SGMS2, SGMS1 EPHX2 479/4885LOXL2 3390/4885GAA 1271/4885
US-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 EPHX2 1638/4885LOXL2 3067/4885GAA 27/4885

“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.