SCHEMBL17149352

SCHEMBL17149352

COC(=O)c1cc(-c2ccco2)nc2nn(Cc3ccc(OC)cc3)c(C)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UBE2I P63279 6/20 0.50
▸ CACNA1B Q00975 6/20 0.50
▸ APBA1 Q02410 6/20 0.50
▸ SAE1 Q9UBE0 6/20 0.50
▸ UBA2 Q9UBT2 6/20 0.50
▸ MAPT P10636 4/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ HPGD P15428 3/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ USP2 O75604 3/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ POLB P06746 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ THRB P10828 2/20 0.48
▸ RECQL P46063 1/20 0.48
▸ CTDSP1 Q9GZU7 1/20 0.48
▸ ADORA2A P29274 1/20 0.47
▸ ADORA1 P30542 1/20 0.47
▸ SLC2A1 P11166 1/20 0.46
▸ SLC2A2 P11168 1/20 0.46

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
SCHEMBL17147437 0.92 UBE2I (0.46) UBE2ICACNA1BAPBA1SAE1UBA2
SCHEMBL17149339 0.92 UBE2I (0.51) UBE2ICACNA1BAPBA1SAE1UBA2
SCHEMBL17147442 0.92 SLC2A1 (0.46) UBE2ICACNA1BAPBA1SAE1UBA2
SCHEMBL17147455 0.92 ALDH1A1 (0.49) UBE2ICACNA1BAPBA1SAE1UBA2
SCHEMBL17147474 0.91 SLC2A1 (0.45) UBE2ICACNA1BAPBA1SAE1UBA2
SCHEMBL17147479 0.91 SLC2A1 (0.52) UBE2ICACNA1BAPBA1SAE1UBA2
SCHEMBL17147454 0.90 ALDH1A1 (0.45) UBE2ICACNA1BAPBA1SAE1UBA2
SCHEMBL17147453 0.90 ALDH1A1 (0.47) UBE2ICACNA1BAPBA1SAE1UBA2
SCHEMBL17147446 0.90 ALDH1A1 (0.47) UBE2ICACNA1BAPBA1SAE1UBA2
SCHEMBL17147511 0.89 SLC2A1 (0.46) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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