SCHEMBL3961283

SCHEMBL3961283

O=C1[N]C(=O)C(c2ccccc2)N1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
ALDH1A1 P00352 2/20 0.55
GAA P10253 2/20 0.55
KDM4E B2RXH2 2/20 0.55
KMT2A Q03164 2/20 0.55
HPGD P15428 1/20 0.55
GFER P55789 1/20 0.55
HSD17B10 Q99714 1/20 0.55
LMNA P02545 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
RAB9A P51151 1/20 0.39
SLC6A3 Q01959 1/20 0.39
USP2 O75604 1/20 0.38
MAPK10 P53779 1/20 0.38
CA2 P00918 1/20 0.37
NOS1 P29475 1/20 0.37
TNKS2 Q9H2K2 1/20 0.36
MEN1 O00255 1/20 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
SCHEMBL11856942 0.80 SLC6A3 (0.40) MAPTALDH1A1GAAKDM4EKMT2A
SCHEMBL11443179 0.71 BRD4 (0.43) MAPTALDH1A1GAAKDM4EKMT2A
SCHEMBL15669931 0.70 MAPT (0.48) MAPTALDH1A1GAAKDM4EKMT2A
SCHEMBL1895535 0.70 MAPT (0.48) MAPTALDH1A1GAAKDM4EKMT2A
SCHEMBL1894049 0.70 MAPT (0.48) MAPTALDH1A1GAAKDM4EKMT2A
Methane SCHEMBL11336749 0.70 MAPT (0.48) MAPTALDH1A1GAAKDM4EKMT2A
SCHEMBL16247218 0.67 MAPT (0.46) MAPTALDH1A1GAAKDM4EKMT2A
SCHEMBL3966266 0.67 GAA (0.47) ALDH1A1GAACA2
SCHEMBL11837569 0.67 MAPT (0.42) MAPTALDH1A1GAAKDM4EKMT2A
SCHEMBL8648763 0.66 ALDH1A1 (0.41) MAPTALDH1A1GAAKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US claimed
EP-1440976-B1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production BOEHRINGER INGELHEIM PHARMA (DE) 2008-07-23 EP claimed
US-20070208036-A1 Arylalkanes, arylalkenes and aryl-azaalkanes, pharmaceutical compositions containing these compounds and processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-09-06 US claimed
US-7230001-B1 Arylalkane, arylalkene and aryl azaalkane, medicaments containing said compounds and method for the production thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-06-12 US claimed
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2004-10-28 US claimed
EP-1440976-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-07-28 EP claimed
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2003-04-10 US claimed
US-6117840-A INHIBITS BINDING BETWEEN VLA-4 RECEPTOR EXPRESSED ON INFLAMMATORY LEUKOCYTES AND FIBRONECTIN CS-1 PEPTIDE EXPRESSED ON ENDOTHELIAL CELLS THAT ARE INVOLVED IN IMMUNOINFLAMMATORY DISEASE STATES CYTEL CORPORATION (US) 2000-09-12 US claimed
US-6103870-A INHIBITS BINDING BETWEEN VLA-4 RECEPTOR EXPRESSED ON INFLAMMATORY LEUKOCYTES AND FIBRONECTIN CS-1 PEPTIDE EXPRESSED ON ENDOTHELIAL CELLS; ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENTS; TREATMENT OF ASTHMA CYTEL CORPORATION (US) 2000-08-15 US claimed
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 US disclosed
EP-1440976-B1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production BOEHRINGER INGELHEIM PHARMA (DE) 2008-07-23 EP disclosed
US-7294636-B2 Chemical compounds ASTRAZENECA AB (SE) 2007-11-13 US disclosed
US-20070208036-A1 Arylalkanes, arylalkenes and aryl-azaalkanes, pharmaceutical compositions containing these compounds and processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-09-06 US disclosed
US-5821231-A TREATMENT OF IMMUNOINFLAMMATORY CONDITIONS CYTEL CORPORATION (US) 1998-10-13 US disclosed
US-5770573-A CS-1 peptidomimetics, compositions and methods of using the same CYTEL CORPORATION (US) 1998-06-23 US disclosed
US-5688913-A OLIGOPEPTIDES AS ANTIINFLAMMATORY AGENTS CYTEL CORPORATION (US) 1997-11-18 US disclosed
EP-0737204-A1 CS-1 PEPTIDOMIMETICS, COMPOSITIONS AND METHODS OF USING THE SAME CYTEL CORPORATION (US) 1996-10-16 EP disclosed
WO-1995015973-A1 CS-1 PEPTIDOMIMETICS, COMPOSITIONS AND METHODS OF USING THE SAME CYTEL CORPORATION (US) 1995-06-15 WO disclosed
US-3973968-A YELLOW KONISHIROKU PHOTO INDUSTRY CO., LTD. (JA) 1976-08-10 US 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 (4 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-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, CHRM1, SRMS MAPT 201/4885ALDH1A1 2929/4885GAA 1593/4885
US-20070208036-A1 Arylalkanes, arylalkenes and aryl-azaalkanes, pharmaceutical compositions containing these compounds and processes for preparing them ARRB1, NPY1R, ADRB3 MAPT 1677/4885ALDH1A1 425/4885GAA 2009/4885
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 MAPT 164/4885ALDH1A1 2196/4885GAA 1331/4885
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production SLC1A5, NEFM, SRMS MAPT 197/4885ALDH1A1 1704/4885GAA 895/4885

“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.