SCHEMBL17147462

SCHEMBL17147462

COC(=O)c1cc(-c2ccco2)nc2nn(-c3ccccc3)c(C)c12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.59
▸ KDM4E B2RXH2 10/20 0.59
▸ POLB P06746 8/20 0.59
▸ MEN1 O00255 6/20 0.59
▸ KMT2A Q03164 6/20 0.59
▸ HSD17B10 Q99714 6/20 0.59
▸ USP2 O75604 3/20 0.59
▸ TSHR P16473 2/20 0.59
▸ MAPT P10636 5/20 0.57
▸ TDP1 Q9NUW8 5/20 0.57
▸ L3MBTL1 Q9Y468 5/20 0.57
▸ RECQL P46063 3/20 0.57
▸ HPGD P15428 7/20 0.52
▸ MCL1 Q07820 3/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.51
▸ PTGS1 P23219 2/20 0.48
▸ GAA P10253 3/20 0.45
▸ ESR1 P03372 2/20 0.45
▸ CASP1 P29466 1/20 0.45
▸ CASP7 P55210 1/20 0.45

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
SCHEMBL17147440 0.91 ALDH1A1 (0.63) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL17147421 0.89 KDM4E (0.70) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL17147428 0.85 ALDH1A1 (0.49) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL17137841 0.84 ALDH1A1 (0.82) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL17147455 0.83 ALDH1A1 (0.49) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL17147486 0.82 POLB (0.75) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL17147506 0.81 TDP1 (0.67) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL17147453 0.80 ALDH1A1 (0.47) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL17147446 0.80 ALDH1A1 (0.47) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL17147444 0.80 L3MBTL1 (0.47) ALDH1A1KDM4EPOLBMEN1KMT2A

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-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-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 1138/4885POLB 2777/4885

“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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