SCHEMBL3986115

SCHEMBL3986115

CCCCc1ccc(N(O)C=N)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.49
CYP3A4 P08684 5/20 0.46
CYP2D6 P10635 3/20 0.46
CYP2C9 P11712 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 1/20 0.46
CYP4Z1 Q86W10 1/20 0.46
CYP4F11 Q9HBI6 1/20 0.46
CYP4F12 Q9HCS2 1/20 0.46
HPGD P15428 2/20 0.45
NPC1 O15118 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
PPARA Q07869 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 2/20 0.36

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
SCHEMBL27512904 0.81 SKP2 (0.39) SKP2CYP3A4CYP2D6CYP2C9CYP1A2
SCHEMBL23092965 0.77 SKP2 (0.58) SKP2CYP3A4CYP2D6CYP2C9CYP1A2
SCHEMBL16079449 0.74 CYP3A4 (0.47) SKP2CYP3A4CYP2D6CYP2C9CYP1A2
SCHEMBL16083945 0.74 CYP3A4 (0.47) SKP2CYP3A4CYP2D6CYP2C9CYP1A2
SCHEMBL23114374 0.73 SKP2 (0.49) SKP2CYP3A4CYP2D6CYP2C9CYP1A2
SCHEMBL11419062 0.71 SKP2 (0.43) SKP2CYP3A4CYP2D6CYP2C9CYP1A2
SCHEMBL5838115 0.70 SKP2 (0.68) SKP2CYP3A4CYP2D6CYP2C9CYP1A2
SCHEMBL23093089 0.70 SKP2 (0.42) SKP2CYP3A4CYP2D6CYP2C9CYP1A2
SCHEMBL2475751 0.70 NPC1 (0.62) SKP2CYP3A4CYP2D6CYP2C9CYP1A2
SCHEMBL1004694 0.70 NPC1 (0.68) SKP2CYP3A4CYP2D6CYP2C9CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9511072-B2 Methods of modulating cell proliferation and cyst formation in polycystic kidney and liver diseases THE MEDICAL COLLEGE OF WISCONSIN, INC. (US) 2016-12-06 US claimed
US-20140329811-A1 Methods of Modulating Cell Proliferation and Cyst Formation in Polycystic Kidney and Liver Diseases MCW RESEARCH FOUNDATION, INC. 2014-11-06 US claimed
US-7307101-B2 Use of 20-HETE synthesizing enzyme inhibitors as therapy for cerebral vascular disease MCW RESEARCH FOUNDATION, INC. (US) 2007-12-11 US claimed
EP-1682153-A2 METHODS OF MODULATING ANGIOGENESIS AND CANCER CELL PROLIFERATION MCW Research Foundation, Inc. (US) 2006-07-26 EP claimed
WO-2005046658-A2 METHODS OF MODULATING ANGIOGENESIS AND CANCER CELL PROLIFERATION MCW RESEARCH FOUNDATION, INC. (US) 2005-05-26 WO claimed
EP-2061450-B1 METHODS OF MODULATING CELL PROLIFERATION AND CYST FORMATION IN POLYCYSTIC KIDNEY AND LIVER DISEASES MEDICAL COLLEGE WISCONSIN INC (US) 2017-04-19 EP disclosed
US-9511072-B2 Methods of modulating cell proliferation and cyst formation in polycystic kidney and liver diseases THE MEDICAL COLLEGE OF WISCONSIN, INC. (US) 2016-12-06 US disclosed
CN-105492011-A Therapeutic synergy of undesirable chemical compounds BROWN DENNIS M 2016-04-13 CN disclosed
CN-104797267-A Method of treating tyrosine kinase inhibitor-resistant malignancies in patients with genetic polymorphism or AHI1 dysregulation or mutation using dianhydrogalactitol, diacetyldianhydrogalactitol, dibromodulcitol, or analogs or derivatives thereof DEL MAR PHARMACEUTICALS 2015-07-22 CN disclosed
US-20140329811-A1 Methods of Modulating Cell Proliferation and Cyst Formation in Polycystic Kidney and Liver Diseases MCW RESEARCH FOUNDATION, INC. 2014-11-06 US disclosed
EP-2061450-A2 METHODS OF MODULATING CELL PROLIFERATION AND CYST FORMATION IN POLYCYSTIC KIDNEY AND LIVER DISEASES MCW Research Foundation, Incorporated (US) 2009-05-27 EP disclosed
US-20080167382-A1 By administering a 20-hydroxyeicosatetraenoic acid (20-HETE) synthesizing enzyme inhibitor or a 20-HETE antagonist; antiproliferative agents THE MEDICAL COLLEGE OF WISCONSIN, INC. 2008-07-10 US disclosed
WO-2008034011-A2 METHODS OF MODULATING CELL PROLIFERATION AND CYST FORMATION IN POLYCYSTIC KIDNEY AND LIVER DISEASES MCW RESEARCH FOUNDATION, INC. (US) 2008-03-20 WO disclosed
EP-1682153-A2 METHODS OF MODULATING ANGIOGENESIS AND CANCER CELL PROLIFERATION MCW Research Foundation, Inc. (US) 2006-07-26 EP disclosed
US-20050124618-A1 Methods of modulating angiogenesis and cancer cell proliferation HENRY FORD HEALTH SYSTEM 2005-06-09 US disclosed
WO-2005046658-A2 METHODS OF MODULATING ANGIOGENESIS AND CANCER CELL PROLIFERATION MCW RESEARCH FOUNDATION, INC. (US) 2005-05-26 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-20140329811-A1 Methods of Modulating Cell Proliferation and Cyst Formation in Polycystic Kidney and Liver Diseases PKD1, PKD2, ALOX15 SKP2 642/4885CYP3A4 3098/4885CYP2D6 2147/4885
US-20080167382-A1 By administering a 20-hydroxyeicosatetraenoic acid (20-HETE) synthesizing enzyme inhibitor or a 20-HETE antagonist; antiproliferative agents PKD1, PKD2, ALOX15 SKP2 736/4885CYP3A4 2013/4885CYP2D6 946/4885

“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.