SCHEMBL1000900

SCHEMBL1000900

[CH2]/C=C/c1cccc(N)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.65
MAOA P21397 3/20 0.65
MAOB P27338 2/20 0.65
NPC1 O15118 1/20 0.57
MAPT P10636 1/20 0.57
GFER P55789 1/20 0.57
NPSR1 Q6W5P4 1/20 0.55
CYP3A4 P08684 1/20 0.48
CASP1 P29466 1/20 0.48
RECQL P46063 1/20 0.48
KDM1A O60341 4/20 0.44
LMNA P02545 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA14 Q9ULX7 1/20 0.39

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
SCHEMBL29664559 0.85 CYP19A1 (0.86) CYP19A1MAOAMAOBNPC1MAPT
SCHEMBL2774526 0.85 CYP19A1 (0.86) CYP19A1MAOAMAOBNPC1MAPT
SCHEMBL2774532 0.85 CYP19A1 (0.86) CYP19A1MAOAMAOBNPC1MAPT
SCHEMBL3629174 0.81
SCHEMBL11288404 0.81 CYP19A1 (0.91) CYP19A1MAOAMAOBNPC1MAPT
SCHEMBL11288405 0.81 CYP19A1 (0.91) CYP19A1MAOAMAOBNPC1MAPT
SCHEMBL9810567 0.81 CYP19A1 (0.71) CYP19A1MAOAMAOBNPC1MAPT
SCHEMBL9810564 0.81 CYP19A1 (0.71) CYP19A1MAOAMAOBNPC1MAPT
SCHEMBL2775800 0.79 CYP19A1 (1.00) CYP19A1MAOAMAOBNPC1MAPT
SCHEMBL29084173 0.79 CYP19A1 (1.00) CYP19A1MAOAMAOBNPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868135-B2 Compositions of lipopeptide antibiotic derivatives and methods of use thereof BIOWEST THERAPEUTICS INC. (CA) 2011-01-11 US claimed
EP-2147925-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof MIGENIX INC. (CA) 2010-01-27 EP claimed
EP-1656390-A2 COMPOSITIONS OF LIPOPEPTIDE ANTIBIOTIC DERIVATIVES AND METHODS OF USE THEREOF MIGENIX INC. (CA) 2006-05-17 EP claimed
US-20050153876-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof MIGENIX INC. (CA) 2005-07-14 US claimed
WO-2005000878-A2 COMPOSITIONS OF LIPOPEPTIDE ANTIBIOTIC DERIVATIVES AND METHODS OF USE THEREOF MIGENIX INC. (CA) 2005-01-06 WO claimed
CN-117751117-A SARM1 enzyme activity inhibitor and application thereof 科辉智药生物科技(无锡)有限公司 2024-03-22 CN disclosed
US-7868135-B2 Compositions of lipopeptide antibiotic derivatives and methods of use thereof BIOWEST THERAPEUTICS INC. (CA) 2011-01-11 US disclosed
US-7795207-B2 Lipopeptide compositions MERLION PHARMACEUTICALS GMBH (DE) 2010-09-14 US disclosed
EP-2147925-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof MIGENIX INC. (CA) 2010-01-27 EP disclosed
US-20070219124-A1 Lipopeptide compositions COMBINATURE BIOPHARM AG (DE) 2007-09-20 US disclosed
EP-1656390-A2 COMPOSITIONS OF LIPOPEPTIDE ANTIBIOTIC DERIVATIVES AND METHODS OF USE THEREOF MIGENIX INC. (CA) 2006-05-17 EP disclosed
US-20050153876-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof MIGENIX INC. (CA) 2005-07-14 US disclosed
WO-2005000878-A2 COMPOSITIONS OF LIPOPEPTIDE ANTIBIOTIC DERIVATIVES AND METHODS OF USE THEREOF MIGENIX INC. (CA) 2005-01-06 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 (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-20070219124-A1 Lipopeptide compositions NOD2, IAPP, PTMS CYP19A1 3217/4885MAOA 4797/4885MAOB 4752/4885
US-20050153876-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof NRDC, NOD2, NGLY1 CYP19A1 3727/4885MAOA 3370/4885MAOB 3139/4885

“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.