SCHEMBL18151749

SCHEMBL18151749

COC(=O)c1cc(-c2ccc(COc3cccc4ccccc34)cc2)ccc1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
GAA P10253 4/20 0.55
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 3/20 0.52
HPGD P15428 4/20 0.48
HSD17B10 Q99714 2/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.47
MCL1 Q07820 1/20 0.45
ADAMTS5 Q9UNA0 1/20 0.45
LMNA P02545 3/20 0.44
MAPK1 P28482 1/20 0.44
PTGES O14684 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
OGG1 O15527 1/20 0.43
FDPS P14324 1/20 0.42
RAB9A P51151 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL18152212 0.85 MCL1 (0.64) MAPTGAAALDH1A1KDM4EHPGD
SCHEMBL18152544 0.78 PLAU (0.51) MAPTGAAALDH1A1KDM4EHPGD
SCHEMBL421466 0.75 IKBKB (0.65) MAPTGAAALDH1A1KDM4EHPGD
SCHEMBL18151779 0.74 MAOB (0.49) MAPTGAAALDH1A1KDM4EHPGD
SCHEMBL7529190 0.74 KDM4E (0.66) MAPTGAAALDH1A1KDM4EHPGD
SCHEMBL30929968 0.74 PLAU (0.46) MAPTGAAALDH1A1KDM4EHPGD
SCHEMBL18151775 0.72 KDM4E (0.61) MAPTGAAALDH1A1KDM4EHPGD
SCHEMBL22762336 0.72 MAPT (0.55) MAPTGAAALDH1A1KDM4EHPGD
SCHEMBL17154031 0.72 MAPT (0.55) MAPTGAAALDH1A1KDM4EHPGD
SCHEMBL9574725 0.72 MAPT (0.67) MAPTGAAALDH1A1KDM4EHPGD

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
EP-3285583-B1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF UNIV MICHIGAN REGENTS (US) 2021-03-17 EP disclosed
EP-3285583-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF The Regents of The University of Michigan (US) 2018-02-28 EP disclosed
US-9884841-B2 Small molecule inhibitors of Mcl-1 and uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2018-02-06 US disclosed
WO-2016172218-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-10-27 WO disclosed
US-20160304485-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-10-20 US 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-20160304485-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF MCL1, BCL2L1, BCL2L11 MAPT 2878/4885GAA 1892/4885ALDH1A1 611/4885

“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.