SCHEMBL17137839

SCHEMBL17137839

COC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.61
▸ KDM4E B2RXH2 8/20 0.61
▸ HPGD P15428 8/20 0.61
▸ HSD17B10 Q99714 6/20 0.61
▸ MAPT P10636 3/20 0.61
▸ USP2 O75604 2/20 0.61
▸ TSHR P16473 2/20 0.61
▸ LMNA P02545 1/20 0.61
▸ PKM P14618 1/20 0.61
▸ ALOX15 P16050 1/20 0.61
▸ POLB P06746 5/20 0.60
▸ MEN1 O00255 4/20 0.60
▸ KMT2A Q03164 4/20 0.60
▸ TDP1 Q9NUW8 2/20 0.58
▸ L3MBTL1 Q9Y468 2/20 0.58
▸ RECQL P46063 1/20 0.58
▸ MCL1 Q07820 2/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.54
▸ GAA P10253 2/20 0.53
▸ ESR1 P03372 1/20 0.53

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
SCHEMBL17137838 0.87 KDM4E (0.74) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL17137841 0.85 ALDH1A1 (0.82) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL17147428 0.84 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL17137829 0.83 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL17137845 0.83 ALDH1A1 (0.83) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL17137834 0.81 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL17137820 0.80 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL17147412 0.80 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL17137847 0.80 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL17147480 0.80 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3125884-B1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF UNIV MICHIGAN REGENTS (US) 2019-11-06 — — EP disclosed
EP-3125884-B1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF UNIV MICHIGAN REGENTS (US) 2019-11-06 — — EP disclosed
US-9394303-B2 Small molecule inhibitors of MCL-1 and uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-07-19 — — US disclosed
US-9394303-B2 Small molecule inhibitors of MCL-1 and uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-07-19 — — US disclosed
US-9394303-B2 Small molecule inhibitors of MCL-1 and uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-07-19 — — US disclosed
US-20150284387-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 2015-10-08 — — US disclosed
US-20150284387-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 2015-10-08 — — US disclosed
US-20150284387-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 2015-10-08 — — 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-20150284387-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF MCL1, BCL2L1, API5 ALDH1A1 1518/4885KDM4E 1138/4885HPGD 3099/4885

“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.

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