SCHEMBL17149339

SCHEMBL17149339

COc1ccc(Cn2nc3nc(-c4ccco4)cc(C(=O)O)c3c2C)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UBE2I P63279 6/20 0.51
▸ CACNA1B Q00975 6/20 0.51
▸ APBA1 Q02410 6/20 0.51
▸ SAE1 Q9UBE0 6/20 0.51
▸ UBA2 Q9UBT2 6/20 0.51
▸ CTDSP1 Q9GZU7 1/20 0.49
▸ KDM4E B2RXH2 3/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ POLB P06746 3/20 0.48
▸ MAPT P10636 3/20 0.48
▸ RECQL P46063 2/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MCL1 Q07820 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ USP2 O75604 1/20 0.47

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
SCHEMBL17149352 0.92 UBE2I (0.50) UBE2ICACNA1BAPBA1SAE1UBA2
SCHEMBL17147505 0.92 KDM4E (0.49) KDM4EALDH1A1POLBMAPTRECQL
SCHEMBL17147485 0.90 ALDH1A1 (0.55) KDM4EALDH1A1POLBMAPTRECQL
SCHEMBL17147451 0.90 ALDH1A1 (0.50) KDM4EALDH1A1POLBMAPTRECQL
SCHEMBL17147472 0.89 SLC2A1 (0.51) KDM4EALDH1A1POLBMAPTRECQL
SCHEMBL17147483 0.89 ALDH1A1 (0.52) KDM4EALDH1A1POLBMAPTRECQL
SCHEMBL17147461 0.89 ALDH1A1 (0.52) KDM4EALDH1A1POLBMAPTRECQL
SCHEMBL17147478 0.89 SLC2A1 (0.45) KDM4EALDH1A1POLBMAPTRECQL
SCHEMBL17147456 0.88 KDM4E (0.51) KDM4EALDH1A1POLBMAPTRECQL
SCHEMBL21548373 0.87 EIF4A1 (0.45) UBE2ICACNA1BAPBA1SAE1UBA2

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 3 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
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

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 UBE2I 3132/4885CACNA1B 2790/4885APBA1 722/4885

“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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