SCHEMBL3581330

SCHEMBL3581330

NCCCCc1[c]cccc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.48
HRH1 P35367 5/20 0.40
SIGMAR1 Q99720 2/20 0.37
MAPT P10636 1/20 0.33
CYP2A6 P11509 1/20 0.33
HTR2A P28223 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33

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
SCHEMBL3584831 0.98 MAOA (0.47) MAOAHRH1SIGMAR1MAPT
SCHEMBL3587599 0.98 MAOA (0.47) MAOAHRH1SIGMAR1MAPT
SCHEMBL3589419 0.98 MAOA (0.47) MAOAHRH1SIGMAR1MAPT
SCHEMBL3593183 0.98 MAOA (0.47) MAOAHRH1SIGMAR1MAPT
SCHEMBL3587172 0.98 MAOA (0.47) MAOAHRH1SIGMAR1MAPT
SCHEMBL3584588 0.98 MAOA (0.47) MAOAHRH1SIGMAR1MAPT
SCHEMBL3593093 0.98 MAOA (0.47) MAOAHRH1SIGMAR1MAPT
SCHEMBL3596268 0.98 MAOA (0.47) MAOAHRH1SIGMAR1MAPT
SCHEMBL3588310 0.98 MAOA (0.47) MAOAHRH1SIGMAR1MAPT
SCHEMBL3589087 0.98 MAOA (0.47) MAOAHRH1SIGMAR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101784188-A Alkynyl phenyl derivative compounds for the treatment of ophthalmic diseases and disorders ACUCELA INC 2010-07-21 CN disclosed
US-7741242-B2 Prepared by crosslinking a homogenized an addition polymer containing units from an unsaturated aryl-containing glycidyl ether or ester and an unsaturated alcohol or carboxylic acid and a zero-valent Pd compound to physically deposit the Pd compound on the polymer; oxidizing alcohols to aldehydes WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-06-22 US disclosed
EP-1537913-B1 PALLADIUM CATALYST COMPOSITION WAKO PURE CHEMICAL INDUSTIES L (JP) 2009-07-01 EP disclosed
EP-1687297-A4 TRIAZINE DIMERS FOR THE TREATMENT OF AUTOIMMUNE DISEASES PROMETIC BIOSCIENCES INC (CA) 2009-04-22 EP disclosed
EP-1881835-A1 TRIAZINE COMPOUNDS AND COMPOSITIONS THEREOF FOR THE TREATMENT OF CANCERS ProMetic BioSciences Inc. (CA) 2008-01-30 EP disclosed
US-20070149528-A1 Triazine dimers for the treatment of autoimmune diseases PROMETIC PHARMA SMT LIMITED (GB) 2007-06-28 US disclosed
WO-2006122431-A1 TRIAZINE COMPOUNDS AND COMPOSITIONS THEREOF FOR THE TREATMENT OF CANCERS PROMETIC BIOSCIENCES INC. (CA) 2006-11-23 WO disclosed
US-20060178486-A1 Propylene block copolymer MITSUBISHI CHEMICAL CORPORATION (JP) 2006-08-10 US disclosed
EP-1687297-A1 TRIAZINE DIMERS FOR THE TREATMENT OF AUTOIMMUNE DISEASES Prometic Biosciences Inc. (CA) 2006-08-09 EP disclosed
EP-1645576-A1 PROPYLENE BLOCK COPOLYMER Mitsubishi Chemical Corporation (JP) 2006-04-12 EP disclosed
US-20060019822-A1 Palladium catalyst composition JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2006-01-26 US disclosed
EP-1537913-A1 PALLADIUM CATALYST COMPOSITION Wako Pure Chemical Industies, Ltd. (JP) 2005-06-08 EP disclosed
WO-2005049607-A1 TRIAZINE DIMERS FOR THE TREATMENT OF AUTOIMMUNE DISEASES PROMETIC BIOSCIENCES INC. (CA) 2005-06-02 WO disclosed
CN-1144802-A Pyridazinone derivatives and processes for preparing the same TANABE SEIYAKU CO (JP) 1997-03-12 CN 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-20070149528-A1 Triazine dimers for the treatment of autoimmune diseases SSB, TLR5, ICOS MAOA 1496/4885HRH1 264/4885SIGMAR1 4361/4885
US-20060019822-A1 Palladium catalyst composition ODC1, NUDC, ADH1C MAOA 1512/4885HRH1 2656/4885SIGMAR1 3068/4885

“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.