SCHEMBL603756

SCHEMBL603756

O=C(NN1CCCC1)Oc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 12/20 0.71
HTT P42858 1/20 0.54
ALDH1A1 P00352 3/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 3/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45
MEN1 O00255 2/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPC1 O15118 1/20 0.44

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
SCHEMBL8030549 0.98 LIPE (0.71) LIPEHTTALDH1A1RAB9AKMT2A
SCHEMBL23037743 0.85 LIPE (0.58) LIPEALDH1A1RAB9AKMT2AGAA
SCHEMBL10757188 0.85 LIPE (0.73) LIPEALDH1A1RAB9AKMT2AKDM4E
SCHEMBL6754793 0.85 LIPE (0.73) LIPEHTTALDH1A1KMT2AGAA
SCHEMBL7975193 0.82 LIPE (0.56) LIPEALDH1A1KMT2AGAAMAPT
SCHEMBL7550305 0.81 LIPE (1.00) LIPEHTTALDH1A1RAB9AKMT2A
SCHEMBL14313082 0.81 LIPE (0.52) LIPEHTTALDH1A1KMT2AKDM4E
SCHEMBL14313457 0.80 LIPE (0.53) LIPEHTTALDH1A1KMT2AKDM4E
SCHEMBL10357323 0.79 LIPE (0.56) LIPEALDH1A1RAB9AKMT2AGAA
SCHEMBL21637112 0.79 LIPE (0.52) LIPEALDH1A1RAB9ALMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6308458-B1 APPLYING A PROTOPORPHYRINOGEN OXIDASE (PROTOX)-INHIBITING HERBICIDE TO A TRANSGENIC PLANT OR SEED HAVING A DNA ENCODING A MODIFIED ENZYME HAVNG PROTOX ACTIVITY WHERE THERE IS ONE AMINO ACID REPLACED RELATIVE TO THE WILD-TYE ENZYME NOVARTIS FINANCE CORPORATION 2001-10-30 US claimed
US-8785488-B2 Triazole and imidazole derivatives for use as TGR5 agonists in the treatment of diabetes and obesity EXELIXIS PATENT COMPANY LLC (US) 2014-07-22 US disclosed
US-8785488-B2 Triazole and imidazole derivatives for use as TGR5 agonists in the treatment of diabetes and obesity EXELIXIS PATENT COMPANY LLC (US) 2014-07-22 US disclosed
US-20120040985-A1 TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY EXELIXIS PATENT COMPANY LLC (US) 2012-02-16 US disclosed
US-20120040985-A1 TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY EXELIXIS PATENT COMPANY LLC (US) 2012-02-16 US disclosed
EP-2396304-A1 TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY Exelixis, Inc. (US) 2011-12-21 EP disclosed
WO-2010093845-A1 TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY EXELIXIS, INC. (US) 2010-08-19 WO disclosed
WO-2010093845-A1 TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY EXELIXIS, INC. (US) 2010-08-19 WO disclosed
EP-1598423-B1 Herbicide resistant plant SUMITOMO CHEMICAL CO (JP) 2009-11-11 EP disclosed
US-7563950-B2 Herbicidal compound resistant plant SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-07-21 US disclosed
US-7521596-B2 Method for controlling weeds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-04-21 US disclosed
US-20060009361-A1 Method for controlling weeds SUMITOMO CHEMICAL COMPANY, LIMITED 2006-01-12 US disclosed
US-20060005268-A1 Herbicidal compound resistant plant SUMITOMO CHEMICAL COMPANY, LIMITED 2006-01-05 US disclosed
EP-1598423-A1 Herbicide resistant plant Sumitomo Chemical Company, Limited (JP) 2005-11-23 EP disclosed
EP-0671388-B1 (Pyrrolidinyl)phenyl carbamates and intermediate compounds, processes for their preparation and their use as medicaments HOECHST MARION ROUSSEL INC (US) 1998-06-10 EP disclosed
US-5591856-A CHEMICAL INTERMEDIATES, TREATMENT OF ALZHEIMER'S DISEASE HOECHST ROUSSEL PHARMACEUTICALS INC. (US) 1997-01-07 US disclosed
EP-0168005-B1 SEMICARBAZIDE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-04-18 EP disclosed
US-4694004-A ANALGESICS; ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-09-15 US disclosed
EP-0168005-A2 Semicarbazide derivatives, processes for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-01-15 EP 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-20120040985-A1 TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY GPR119, GLP1R, GCGR LIPE 252/4885HTT 3724/4885ALDH1A1 2105/4885
US-20060009361-A1 Method for controlling weeds CYP4F3, CYP4X1, CYP4Z1 LIPE 2457/4885HTT 4177/4885ALDH1A1 252/4885
US-20060005268-A1 Herbicidal compound resistant plant PPOX, DDT, HPD LIPE 1208/4885HTT 1769/4885ALDH1A1 796/4885

“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.