SCHEMBL2494348

SCHEMBL2494348

CC(C)(C)OC(=O)/N=c1\n(CCCOc2cccc(C(=O)O)c2)c2ccccc2n1Cc1cccc(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.42
MAOB P27338 1/20 0.39
KDM4E B2RXH2 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 1/20 0.39
NR4A2 P43354 2/20 0.39
MCL1 Q07820 2/20 0.38
BCL2 P10415 1/20 0.38
ALOX5AP P20292 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.37
NR4A1 P22736 1/20 0.37
NR4A3 Q92570 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL15826886 1.00 MRGPRX4 (0.42) MRGPRX4MAOBKDM4EKMT2AALDH1A1
SCHEMBL2494352 1.00 MRGPRX4 (0.42) MRGPRX4MAOBKDM4EKMT2AALDH1A1
SCHEMBL2495162 0.91 MAOB (0.37) MAOBALDH1A1MAPT
SCHEMBL2495160 0.91 MAOB (0.37) MAOBALDH1A1MAPT
SCHEMBL15826885 0.89 SCN3A (0.39) MAOBKDM4EKMT2AALDH1A1MEN1
SCHEMBL2475742 0.89 SCN3A (0.39) MAOBKDM4EKMT2AALDH1A1MEN1
SCHEMBL2497323 0.81 MAPT (0.49) MRGPRX4MAOBKDM4EKMT2AALDH1A1
SCHEMBL2496402 0.80 MAPT (0.48) MRGPRX4MAOBKDM4EKMT2AALDH1A1
SCHEMBL2498869 0.75 BCL2L1 (0.50) MCL1BCL2
SCHEMBL2498862 0.75 BCL2L1 (0.50) MCL1BCL2

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 9 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
US-8759520-B2 Compounds for treating cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-24 US disclosed
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
US-20110312969-A1 COMPOUNDS FOR TREATING CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US 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 MRGPRX4 640/4885MAOB 1625/4885KDM4E 1650/4885

“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.