SCHEMBL2459611

SCHEMBL2459611

O=C1/C(=N/O)CCCc2cccnc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
HPGD P15428 1/20 0.44
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP2 O95551 2/20 0.38
NSD2 O96028 2/20 0.38
PAX8 Q06710 2/20 0.38
GAA P10253 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
ABL1 P00519 1/20 0.38
PLCG1 P19174 1/20 0.38
CES1 P23141 1/20 0.38
RIN1 Q13671 1/20 0.38
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL2459612 1.00 L3MBTL1 (0.44) L3MBTL1HPGDALDH1A1CYP1A2CYP2C19
SCHEMBL29415928 0.87 HPGD (0.49) L3MBTL1HPGDALDH1A1GAAMEN1
SCHEMBL8619986 0.87 HPGD (0.49) L3MBTL1HPGDALDH1A1GAAMEN1
SCHEMBL1093334 0.87 HPGD (0.49) L3MBTL1HPGDALDH1A1GAAMEN1
SCHEMBL1093335 0.87 HPGD (0.49) L3MBTL1HPGDALDH1A1GAAMEN1
SCHEMBL8118609 0.78 MAOA (0.46) TDP2NSD2PAX8GAATDP1
SCHEMBL31041390 0.76 LMNA (0.44) L3MBTL1HPGDALDH1A1CYP1A2CYP2C19
SCHEMBL4912110 0.75 TSHR (0.43) L3MBTL1TDP2NSD2PAX8GAA
SCHEMBL7981109 0.74 SLC6A15 (0.35) L3MBTL1ALDH1A1TDP2NSD2PAX8
SCHEMBL728503 0.74 CYP2A6 (0.48) L3MBTL1ALDH1A1TDP2NSD2PAX8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534277-B1 ACYLATED, HETEROARYL-CONDENSED CYCLOALKENYLAMINES AND THEIR USE AS PHARMACEUTICALS SANOFI AVENTIS DEUTSCHLAND (DE) 2011-09-14 EP disclosed
US-7105513-B2 Cardiovascular disorders; strokes; hypotensive agents SANOFI-AVERTIS DEUTSCHLAND GMBH (DE) 2006-09-12 US disclosed
EP-1534277-A1 ACYLATED, HETEROARYL-CONDENSED CYCLOALKENYLAMINES AND THEIR USE AS PHARMACEUTICALS Aventis Pharma Deutschland GmbH (DE) 2005-06-01 EP disclosed
US-20040092513-A1 Acylated, heteroaryl-condensed cycloalkenylamines and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-05-13 US disclosed
WO-2004014372-A1 ACYLATED, HETEROARYL-CONDENSED CYCLOALKENYLAMINES AND THEIR USE AS PHARMACEUTICALS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-02-19 WO disclosed
EP-1388342-A1 Acylated, heteroaryl-condensed cycloalkenylamines and their use as pharmaceuticals Aventis Pharma Deutschland GmbH (DE) 2004-02-11 EP disclosed
EP-0339978-B1 Fused polycyclic compounds, compositions, methods of manufacture, and their use as PAF antagonists, antihistamines and/or antiinflammatory agents SCHERING CORP (US) 1996-08-21 EP disclosed
EP-0412988-A1 FUSED POLYCYCLIC COMPOUNDS, COMPOSITIONS, METHODS OF MANUFACTURE AND THEIR USE AS PAF ANTAGONISTS, ANTIHISTAMINES AND/OR ANTIINFLAMMATORY AGENTS SCHERING CORPORATION (US) 1991-02-20 EP disclosed
EP-0339978-A1 Fused polycyclic compounds, compositions, methods of manufacture, and their use as PAF antagonists, antihistamines and/or antiinflammatory agents SCHERING CORPORATION (US) 1989-11-02 EP disclosed
WO-1989010363-A1 FUSED POLYCYCLIC COMPOUNDS, COMPOSITIONS, METHODS OF MANUFACTURE AND THEIR USE AS PAF ANTAGONISTS, ANTIHISTAMINES AND/OR ANTIINFLAMMATORY AGENTS SCHERING CORPORATION (US) 1989-11-02 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 (1 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-20040092513-A1 Acylated, heteroaryl-condensed cycloalkenylamines and their use as pharmaceuticals LIPG, AADAC, AANAT L3MBTL1 4741/4885HPGD 398/4885ALDH1A1 1186/4885

“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.