SCHEMBL5864935

SCHEMBL5864935

N#Cc1cccc(/C=C/CO)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 3/20 0.53
P4HB P07237 11/20 0.50
GRIN2D O15399 2/20 0.47
GRIN3B O60391 2/20 0.47
GRIN1 Q05586 2/20 0.47
GRIN2A Q12879 2/20 0.47
GRIN2B Q13224 2/20 0.47
GRIN2C Q14957 2/20 0.47
GRIN3A Q8TCU5 2/20 0.47
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
RECQL P46063 1/20 0.46
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43

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
SCHEMBL5783464 1.00 FBP1 (0.53) FBP1P4HBGRIN2DGRIN3BGRIN1
SCHEMBL6166447 1.00 FBP1 (0.53) FBP1P4HBGRIN2DGRIN3BGRIN1
Methoxymethane SCHEMBL6984939 0.94 P4HB (0.51) FBP1P4HBGRIN2DGRIN3BGRIN1
Methoxymethane SCHEMBL6984949 0.94 P4HB (0.51) FBP1P4HBGRIN2DGRIN3BGRIN1
SCHEMBL2774364 0.82 FBP1 (0.65) FBP1P4HBGRIN2DGRIN3BGRIN1
SCHEMBL1687910 0.82 FBP1 (0.65) FBP1P4HBGRIN2DGRIN3BGRIN1
SCHEMBL6165260 0.82 FBP1 (0.53) FBP1P4HBGRIN2DGRIN3BGRIN1
SCHEMBL924068 0.82 FBP1 (0.53) FBP1P4HBGRIN2DGRIN3BGRIN1
SCHEMBL3908239 0.82 FBP1 (0.53) FBP1P4HBGRIN2DGRIN3BGRIN1
SCHEMBL3908237 0.82 FBP1 (0.53) FBP1P4HBGRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030138-B2 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2006-04-18 US disclosed
EP-1245564-B1 BENZAMIDINE DERIVATIVES SANKYO CO (JP) 2006-04-05 EP disclosed
US-6933295-B2 Substituted isoindoles and the use thereof BAYER AKTIENGESELLSCHAFT (DE) 2005-08-23 US disclosed
US-20050004207-A1 Nitrogen compounds such as N-(2-{4-[2-Amino-2-(hydroxyimino)ethyl]benzyl}-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl)-5-chloro-2-thiophenecarboxamide, used as blood-coagulation factor Xa antogonists for prophylaxis of cardiovascular disorders BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-01-06 US disclosed
US-20040248981-A1 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2004-12-09 US disclosed
US-20040147555-A1 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2004-07-29 US disclosed
US-20040010009-A1 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2004-01-15 US disclosed
EP-1375482-A1 BENZAMIDINE DERIVATIVE Sankyo Company, Limited (JP) 2004-01-02 EP disclosed
US-6555556-B1 N-(4-(1-acetimidoylpiperidin-4-yl)oxyphenyl)-N-((E)-3-(3 -amidinophenyl)-2-methyl-2-propenyl)sulfamoylacetic acid dihydrochloride for example; factor Xa inhibitors SANKYO COMPANY, LIMITED (JP) 2003-04-29 US disclosed
US-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof LG CHEM INVESTMENT LTD. (KR) 2003-04-03 US disclosed
EP-0186426-B1 TETRAZOLYL COMPOUNDS AND THEIR PHARMACEUTICAL USE Lilly Industries Limited (GB) 1990-09-12 EP disclosed
US-RE33300-E LEUKOTRIENE ANTAGONISTS; ANTIALLERGENS ELI LILLY AND COMPANY (US) 1990-08-14 US disclosed
US-4948796-A TREATING CEREBO-VASCULARE DISEASES TOYAMA CHEMICAL CO., LTD. (JP) 1990-08-14 US disclosed
US-4845110-A Organic compounds and their pharmaceutical use LILLY INDUSTRIES LIMITED (GB) 1989-07-04 US disclosed
EP-0134111-B1 ARALIPHATIC SULPHIDES,SULPHONES AND SULPHOXIDES AND THEIR PHARMACEUTICAL USE Lilly Industries Limited (GB) 1988-12-07 EP disclosed
EP-0235452-A2 Organic compounds and their pharmaceutical use LILLY INDUSTRIES LIMITED (GB) 1987-09-09 EP disclosed
US-4665189-A LEUKOTRIENE ANTAGONISTS LILLY INDUSTRIES LIMITED (GB) 1987-05-12 US disclosed
EP-0201823-A2 Novel intermediates for the production of pharmaceuticals LILLY INDUSTRIES LIMITED (GB) 1986-11-20 EP disclosed
EP-0186426-A2 Tetrazolyl compounds and their pharmaceutical use Lilly Industries Limited (GB) 1986-07-02 EP disclosed
EP-0134111-A1 Araliphatic sulphides,sulphones and sulphoxides and their pharmaceutical use Lilly Industries Limited (GB) 1985-03-13 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 (5 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-20040147555-A1 Benzamidine derivatives F9, F7, F2 FBP1 2399/4885P4HB 815/4885GRIN2D 4377/4885
US-20050004207-A1 Nitrogen compounds such as N-(2-{4-[2-Amino-2-(hydroxyimino)ethyl]benzyl}-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl)-5-chloro-2-thiophenecarboxamide, used as blood-coagulation factor Xa antogonists for prophylaxis of cardiovascular disorders F2, SERPINC1, F11 FBP1 982/4885P4HB 1805/4885GRIN2D 3668/4885
US-20040010009-A1 Benzamidine derivatives HABP2, F7, F2 FBP1 594/4885P4HB 808/4885GRIN2D 2905/4885
US-20040248981-A1 Benzamidine derivatives HABP2, F7, F2 FBP1 601/4885P4HB 796/4885GRIN2D 2964/4885
US-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof F2, F12, TFPI FBP1 644/4885P4HB 449/4885GRIN2D 4191/4885

“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.