SCHEMBL629425

SCHEMBL629425

Oc1c(Cl)cc(-c2ccc3ncc(NC(=S)NC4CCCCCC4)nc3c2)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 5/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
MEN1 O00255 4/20 0.45
NPSR1 Q6W5P4 3/20 0.45
LMNA P02545 3/20 0.45
HTT P42858 3/20 0.45
ALOX12 P18054 1/20 0.45
CYP1A2 P05177 2/20 0.44
MAPK1 P28482 2/20 0.44
CYP2C19 P33261 2/20 0.44
ALDH1A1 P00352 6/20 0.43
CACNA1B Q00975 2/20 0.43
APBA1 Q02410 2/20 0.43
HPGD P15428 1/20 0.42
BLM P54132 1/20 0.42
CYP3A4 P08684 1/20 0.41

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
SCHEMBL629421 1.00 MAPT (0.46) MAPTNPC1RAB9AGAAKMT2A
SCHEMBL629695 1.00 MAPT (0.46) MAPTNPC1RAB9AGAAKMT2A
SCHEMBL629714 0.97 MAPT (0.42) MAPTNPC1RAB9AGAAKMT2A
SCHEMBL629368 0.95 MELK (0.43) SMN1; SMN2MELK
SCHEMBL630270 0.88 MAPT (0.51) MAPTNPC1RAB9AGAAKMT2A
SCHEMBL630481 0.88 JAK2 (0.54) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL630323 0.88 JAK2 (0.54) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL630167 0.86 RAB9A (0.49) MAPTNPC1RAB9AGAAKMT2A
SCHEMBL630388 0.86 JAK2 (0.53) RAB9AMAPK1JAK2JAK1JAK3
SCHEMBL629689 0.84 RAB9A (0.47) MAPTNPC1RAB9AGAAKMT2A

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-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
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 MAPT 4014/4885NPC1 2011/4885RAB9A 1138/4885

“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.