SCHEMBL3787857

SCHEMBL3787857

CC(C)CNC(=N)CC(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
MMP1 P03956 1/20 0.38
MMP8 P22894 1/20 0.38
CNR2 P34972 4/20 0.32
CNR1 P21554 2/20 0.32
EPHX1 P07099 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 2/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
HTT P42858 1/20 0.32
GAA P10253 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31

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
SCHEMBL24153344 0.79
SCHEMBL13308899 0.77
SCHEMBL21376036 0.77
SCHEMBL24152800 0.77 ALDH1A1 (0.31) ALDH1A1TDP1
SCHEMBL28873183 0.75 ALDH1A1 (0.36) ALDH1A1TDP1
SCHEMBL1273245 0.75 CYP2D6 (0.50) CYP2D6CYP2C19MMP1MMP8CNR2
SCHEMBL387346 0.72
SCHEMBL20436905 0.72
SCHEMBL9483208 0.72
SCHEMBL6440850 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180009772-A1 Highly Selective Anti-Cancer Agents Targeting Non-Small Cell Lung Cancer and Other Forms of Cancer THE UNIVERSITY OF TOLEDO (US) 2018-01-11 US claimed
US-20150344448-A1 Highly Selective Anti-Cancer Agents Targeting Non-Small Cell Lung Cancer and Other Forms of Cancer THE UNIVERSITY OF TOLEDO (US) 2015-12-03 US claimed
WO-2014116594-A1 HIGHLY SELECTIVE ANTI-CANCER AGENTS TARGETING NON-SMALL CELL LUNG CANCER AND OTHER FORMS OF CANCER THE UNIVERSITY OF TOLEDO (US) 2014-07-31 WO claimed
JP-3739785-B2 2006-01-25 JP claimed
US-20040265802-A9 ENHANCED TRIPLE-HELIX AND DOUBLE-HELIX FORMATION WITH OLIGOMERS CONTAINING MODIFIED PYRIMIDINES FROEHLER BRIAN (US) 2004-12-30 US claimed
US-20030170680-A1 Enhanced triple-helix and double-helix formation with oligomers containing modified pyrimidines FROEHLER BRIAN (US) 2003-09-11 US claimed
US-20030096980-A1 Enhanced triple-helix and double-helix formation with oligomers containing modified pyrimidines ISIS PHARMACEUTICALS, INC. 2003-05-22 US claimed
EP-0637965-A4 ENHANCED TRIPLE-HELIX AND DOUBLE-HELIX FORMATION WITH OLIGOMERS CONTAINING MODIFIED PYRIMIDINES. GILEAD SCIENCES INC (US) 1996-01-24 EP claimed
EP-0637965-A1 ENHANCED TRIPLE-HELIX AND DOUBLE-HELIX FORMATION WITH OLIGOMERS CONTAINING MODIFIED PYRIMIDINES GILEAD SCIENCES, INC. (US) 1995-02-15 EP claimed
WO-1993010820-A1 ENHANCED TRIPLE-HELIX AND DOUBLE-HELIX FORMATION WITH OLIGOMERS CONTAINING MODIFIED PYRIMIDINES GILEAD SCIENCES, INC. (US) 1993-06-10 WO claimed
US-10392354-B2 Highly selective anti-cancer agents targeting non-small cell lung cancer and other forms of cancer THE UNIVERSITY OF TOLEDO (US) 2019-08-27 US disclosed
US-20190023671-A1 Highly Selective Anti-Cancer Agents Targeting Non-Small Cell Lung Cancer and Other Forms of Cancer THE UNIVERSITY OF TOLEDO (US) 2019-01-24 US disclosed
US-10138216-B2 Highly selective anti-cancer agents targeting non-small cell lung cancer and other forms of cancer THE UNIVERSITY OF TOLEDO (US) 2018-11-27 US disclosed
US-20180009772-A1 Highly Selective Anti-Cancer Agents Targeting Non-Small Cell Lung Cancer and Other Forms of Cancer THE UNIVERSITY OF TOLEDO (US) 2018-01-11 US disclosed
US-9862692-B2 Highly selective anti-cancer agents targeting non-small cell lung cancer and other forms of cancer THE UNIVERSITY OF TOLEDO (US) 2018-01-09 US disclosed
EP-0616612-A1 NUCLEASE STABLE AND BINDING COMPETENT OLIGOMERS AND METHODS FOR THEIR USE GILEAD SCIENCES, INC. (US) 1994-09-28 EP disclosed
WO-1993024507-A1 CONFORMATIONALLY RESTRAINED OLIGOMERS CONTAINING AMIDE OR CARBAMATE LINKAGES FOR SEQUENCE-SPECIFIC BINDING GILEAD SCIENCES, INC. (US) 1993-12-09 WO disclosed
WO-1993024508-A1 BINDING COMPETENT OLIGOMERS CONTAINING 2', 5' LINKAGES GILEAD SCIENCES, INC. (US) 1993-12-09 WO disclosed
WO-1993012135-A1 NUCLEASE STABLE AND BINDING COMPETENT OLIGOMERS AND METHODS FOR THEIR USE GILEAD SCIENCES, INC. (US) 1993-06-24 WO disclosed
WO-1993010820-A1 ENHANCED TRIPLE-HELIX AND DOUBLE-HELIX FORMATION WITH OLIGOMERS CONTAINING MODIFIED PYRIMIDINES GILEAD SCIENCES, INC. (US) 1993-06-10 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 (8 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-20190023671-A1 Highly Selective Anti-Cancer Agents Targeting Non-Small Cell Lung Cancer and Other Forms of Cancer H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, EML4, DCK CYP2D6 4045/4885CYP2C19 3270/4885MMP1 4554/4885
US-20030170680-A1 Enhanced triple-helix and double-helix formation with oligomers containing modified pyrimidines NUDT1, DHX15, DDX5 CYP2D6 4088/4885CYP2C19 4860/4885MMP1 4614/4885
US-10392354-B2 Highly selective anti-cancer agents targeting non-small cell lung cancer and other forms of cancer H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, EML4, DCK CYP2D6 4111/4885CYP2C19 3376/4885MMP1 4550/4885
US-20040265802-A9 ENHANCED TRIPLE-HELIX AND DOUBLE-HELIX FORMATION WITH OLIGOMERS CONTAINING MODIFIED PYRIMIDINES NUDT1, DHX15, DDX5 CYP2D6 4088/4885CYP2C19 4860/4885MMP1 4614/4885
US-20180009772-A1 Highly Selective Anti-Cancer Agents Targeting Non-Small Cell Lung Cancer and Other Forms of Cancer H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, EML4, DCK CYP2D6 4045/4885CYP2C19 3270/4885MMP1 4554/4885
US-10138216-B2 Highly selective anti-cancer agents targeting non-small cell lung cancer and other forms of cancer H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, EML4, DCK CYP2D6 4045/4885CYP2C19 3270/4885MMP1 4554/4885
US-20030096980-A1 Enhanced triple-helix and double-helix formation with oligomers containing modified pyrimidines NUDT1, DHX15, DDX5 CYP2D6 4088/4885CYP2C19 4860/4885MMP1 4614/4885
US-20150344448-A1 Highly Selective Anti-Cancer Agents Targeting Non-Small Cell Lung Cancer and Other Forms of Cancer H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, EML4, DCK CYP2D6 4045/4885CYP2C19 3270/4885MMP1 4554/4885

“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.