SCHEMBL2495162

SCHEMBL2495162

CCOC(=O)c1cccc(OCCCn2c(=NC(=O)OC(C)(C)C)n(Cc3cccc(Br)c3)c3ccccc32)c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.37
CYP19A1 P11511 1/20 0.37
F10 P00742 1/20 0.37
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL2495160 1.00 MAOB (0.37) MAOBCYP19A1F10MAPTTSHR
SCHEMBL15826886 0.91 MRGPRX4 (0.42) MAOBMAPTALDH1A1
SCHEMBL2494348 0.91 MRGPRX4 (0.42) MAOBMAPTALDH1A1
SCHEMBL2494352 0.91 MRGPRX4 (0.42) MAOBMAPTALDH1A1
SCHEMBL2475742 0.86 SCN3A (0.39) MAOBALDH1A1
SCHEMBL15826885 0.86 SCN3A (0.39) MAOBALDH1A1
SCHEMBL2493689 0.83 MAPT (0.49) MAOBCYP19A1F10MAPTTSHR
SCHEMBL2499764 0.75 MAPT (0.51) MAOBMAPTTSHRNPSR1
SCHEMBL2496241 0.75 TSHR (0.53) MAPTTSHRNPSR1
SCHEMBL2496779 0.74 MAPT (0.47) MAOBF10MAPTTSHRNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759520-B2 Compounds for treating cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-24 US disclosed
EP-2373629-B1 COMPOUNDS FOR TREATING CANCER BOEHRINGER INGELHEIM INT (DE) 2013-04-10 EP disclosed
US-20110312969-A1 COMPOUNDS FOR TREATING CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
EP-2373629-A1 COMPOUNDS FOR TREATING CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-12 EP disclosed
WO-2010067067-A1 COMPOUNDS FOR TREATING CANCER EVOTEC AG (DE) 2010-06-17 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-20110312969-A1 COMPOUNDS FOR TREATING CANCER BCL2, BAX, BCL2A1 MAOB 1625/4885CYP19A1 317/4885F10 1340/4885

“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.