SCHEMBL2356937

SCHEMBL2356937

COc1cc(C2NC(=O)c3ccccc3N2)ccc1OCCCCCBr

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.71
KDM4E B2RXH2 5/20 0.71
MAPT P10636 3/20 0.71
HPGD P15428 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
TNKS2 Q9H2K2 8/20 0.52
GAA P10253 3/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
ALOX12 P18054 1/20 0.48
TNKS O95271 2/20 0.44
PARP3 Q9Y6F1 2/20 0.44
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 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
SCHEMBL13643404 0.92 ALDH1A1 (0.76) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL30230456 0.85 KDM4E (0.71) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL28992926 0.85 KDM4E (0.71) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL28992940 0.84 KDM4E (0.72) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL30230250 0.84 KDM4E (0.72) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL30257239 0.84 ALDH1A1 (1.00) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL7665294 0.84 ALDH1A1 (1.00) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL13585857 0.83 KDM4E (0.62) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL16223112 0.83 KDM4E (0.62) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL2358610 0.83 KDM4E (0.62) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2350030-B9 ISOXAZOLE/ISOXAZOLINE/COMBRETASTATIN LINKED DIHYDROQUINAZOLINONE HYBRIDS AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2016-10-26 EP disclosed
EP-2350030-B1 ISOXAZOLE/ISOXAZOLINE/COMBRETASTATIN LINKED DIHYDROQUINAZOLINONE HYBRIDS AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2016-04-20 EP disclosed
US-8883809-B2 Isoxazole/isoxazoline/combretastatin linked dihydroquinazolinone hybrids as potential anticancer agents and process for the preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-11-11 US disclosed
US-20120283439-A1 ISOXAZOLE/ISOXAZOLINE/COMBRETASTATIN LINKED DIHYDROQUINAZOLINONE HYBRIDS AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF Council of Scientific & Industrial Redearch (IN) 2012-11-08 US disclosed
EP-2350030-A1 ISOXAZOLE/ISOXAZOLINE/COMBRETASTATIN LINKED DIHYDROQUINAZOLINONE HYBRIDS AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF Council Of Scientific & Industrial Research (IN) 2011-08-03 EP disclosed
WO-2010058417-A1 ISOXAZOLE/ISOXAZOLINE/COMBRETASTATIN LINKED DIHYDROQUINAZOLINONE HYBRIDS AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2010-05-27 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-20120283439-A1 ISOXAZOLE/ISOXAZOLINE/COMBRETASTATIN LINKED DIHYDROQUINAZOLINONE HYBRIDS AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF NDUFAF1, TOP1, COX4I1 ALDH1A1 212/4885KDM4E 2437/4885MAPT 1678/4885

“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.