SCHEMBL2906705

SCHEMBL2906705

O=C(OCc1ccccc1)c1cc(OCc2ccccc2)c2ccccc2n1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
ALOX15 P16050 1/20 0.49
KMT2A Q03164 2/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
STAT3 P40763 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ADAM17 P78536 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
ELANE P08246 1/20 0.44
MEN1 O00255 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL31389266 0.88 ALOX15 (0.55) MAPTALOX15TDP1ALDH1A1STAT3
SCHEMBL31389237 0.87 ALOX15 (0.64) ALOX15STAT3HTTSMN1; SMN2ADAM17
SCHEMBL2908552 0.87 ALOX15 (0.64) ALOX15STAT3HTTSMN1; SMN2ADAM17
Hydrochloric Acid SCHEMBL28687342 0.86 ALOX15 (0.62) ALOX15STAT3HTTSMN1; SMN2ADAM17
SCHEMBL27642217 0.85 ALOX15 (0.50) ALOX15STAT3HTTSMN1; SMN2
SCHEMBL7720682 0.83 TDP1 (0.51) MAPTKMT2ASLC6A2SLC6A3TDP1
SCHEMBL3328186 0.83 CASP3 (0.48) ALOX15KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL6080025 0.83 MRGPRX4 (0.42) MAPTKMT2ASLC6A2SLC6A3TDP1
SCHEMBL6080347 0.83 MRGPRX4 (0.42) MAPTKMT2ASLC6A2SLC6A3TDP1
SCHEMBL6081081 0.82 PTGER1 (0.45) KDM4EALDH1A1SMN1; SMN2MRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578423-B1 2-AMINOCARBONYL-QUINOLINE COMPOUNDS AS PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS BAYER SCHERING PHARMA AG (DE) 2010-08-18 EP disclosed
US-7084142-B2 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2006-08-01 US disclosed
US-20060122188-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-08 US disclosed
US-7056923-B2 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-06 US disclosed
EP-1578423-A1 2-AMINOCARBONYL-QUINOLINE COMPOUNDS AS PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-09-28 EP disclosed
WO-2004052366-A9 2-AMINOCARBONYL-QUINOLINE COMPOUNDS AS PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS SCHERING AG (DE) 2005-06-23 WO disclosed
US-20040138229-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2004-07-15 US disclosed
WO-2004052366-A1 2-AMINOCARBONYL-QUINOLINE COMPOUNDS AS PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2004-06-24 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-20060122188-A1 Platelet adenosine diphosphate receptor antagonists TBXA2R, P2RY1, ADORA1 MAPT 4866/4885ALOX15 1093/4885KMT2A 4105/4885
US-20040138229-A1 Platelet adenosine diphosphate receptor antagonists TBXA2R, ADORA1, P2RY1 MAPT 4869/4885ALOX15 1084/4885KMT2A 4417/4885

“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.