SCHEMBL629486

SCHEMBL629486

COc1ccc(CCNC(=S)Nc2cnc3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc3n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 9/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPT P10636 4/20 0.47
ALOX12 P18054 6/20 0.46
ABL1 P00519 1/20 0.45
PIM1 P11309 1/20 0.45
MAPK1 P28482 1/20 0.45
AURKB Q96GD4 1/20 0.45
GAA P10253 3/20 0.45
HTT P42858 2/20 0.45
KDM4E B2RXH2 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL13092210 0.96 LMNA (0.46) LMNAALDH1A1MAPTALOX12ABL1
SCHEMBL629158 0.90 MAPT (0.47) LMNAALDH1A1MAPTALOX12GAA
SCHEMBL630000 0.90 LTC4S (0.49) LMNAALDH1A1MAPTALOX12PIM1
SCHEMBL629472 0.89 MAPT (0.50) LMNAALDH1A1MAPTALOX12MAPK1
SCHEMBL629524 0.89 MAPK1 (0.56) ABL1PIM1MAPK1AURKBHTT
SCHEMBL629474 0.88 ALDH1A1 (0.51) LMNAALDH1A1MAPTALOX12PIM1
SCHEMBL629866 0.83 MAPK1 (0.45) LMNAABL1PIM1MAPK1AURKB
SCHEMBL630571 0.83 BCL6 (0.43) LMNAALDH1A1MAPTALOX12PIM1
SCHEMBL629307 0.82 SMN1; SMN2 (0.48) LMNAALDH1A1MAPTALOX12PIM1
SCHEMBL3048806 0.82 MAPK1 (0.52) ABL1PIM1MAPK1AURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394801-B2 Quinoxaline derivatives and their use for treating benign and malignant tumour disorders AETERNA ZENTARIS GMBH (DE) 2013-03-12 US claimed
EP-2419411-A1 QUINOXALINE DERIVATIVES AND THEIR USE FOR TREATING BENIGN AND MALIGNANT TUMOUR DISORDERS Æterna Zentaris GmbH (DE) 2012-02-22 EP claimed
US-20100266538-A1 QUINOXALINE DERIVATIVES AND THEIR USE FOR TREATING BENIGN AND MALIGNANT TUMOUR DISORDERS AETERNA ZENTARIS GMBH (DE) 2010-10-21 US claimed
WO-2010115719-A1 QUINOXALINE DERIVATIVES AND THEIR USE FOR TREATING BENIGN AND MALIGNANT TUMOUR DISORDERS ÆTERNA ZENTARIS GMBH (DE) 2010-10-14 WO claimed
US-8394801-B2 Quinoxaline derivatives and their use for treating benign and malignant tumour disorders AETERNA ZENTARIS GMBH (DE) 2013-03-12 US disclosed
US-8394801-B2 Quinoxaline derivatives and their use for treating benign and malignant tumour disorders AETERNA ZENTARIS GMBH (DE) 2013-03-12 US disclosed
US-8394801-B2 Quinoxaline derivatives and their use for treating benign and malignant tumour disorders AETERNA ZENTARIS GMBH (DE) 2013-03-12 US disclosed
EP-2419411-A1 QUINOXALINE DERIVATIVES AND THEIR USE FOR TREATING BENIGN AND MALIGNANT TUMOUR DISORDERS Æterna Zentaris GmbH (DE) 2012-02-22 EP disclosed
US-20100266538-A1 QUINOXALINE DERIVATIVES AND THEIR USE FOR TREATING BENIGN AND MALIGNANT TUMOUR DISORDERS AETERNA ZENTARIS GMBH (DE) 2010-10-21 US disclosed
US-20100266538-A1 QUINOXALINE DERIVATIVES AND THEIR USE FOR TREATING BENIGN AND MALIGNANT TUMOUR DISORDERS AETERNA ZENTARIS GMBH (DE) 2010-10-21 US disclosed
US-20100266538-A1 QUINOXALINE DERIVATIVES AND THEIR USE FOR TREATING BENIGN AND MALIGNANT TUMOUR DISORDERS AETERNA ZENTARIS GMBH (DE) 2010-10-21 US disclosed
WO-2010115719-A1 QUINOXALINE DERIVATIVES AND THEIR USE FOR TREATING BENIGN AND MALIGNANT TUMOUR DISORDERS ÆTERNA ZENTARIS GMBH (DE) 2010-10-14 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-20100266538-A1 QUINOXALINE DERIVATIVES AND THEIR USE FOR TREATING BENIGN AND MALIGNANT TUMOUR DISORDERS NQO2, G6PD, GLS2 LMNA 1693/4885ALDH1A1 440/4885MAPT 4014/4885

“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.