SCHEMBL17137827

SCHEMBL17137827

Cc1nn(-c2ccccc2)c2nc(-c3ccco3)cc(C(=O)O)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 1.00
▸ KDM4E B2RXH2 8/20 1.00
▸ POLB P06746 5/20 1.00
▸ HSD17B10 Q99714 4/20 1.00
▸ MAPT P10636 3/20 1.00
▸ TDP1 Q9NUW8 3/20 1.00
▸ L3MBTL1 Q9Y468 3/20 1.00
▸ RECQL P46063 1/20 1.00
▸ MEN1 O00255 5/20 0.84
▸ KMT2A Q03164 5/20 0.84
▸ HPGD P15428 4/20 0.84
▸ MCL1 Q07820 2/20 0.84
▸ NPSR1 Q6W5P4 2/20 0.84
▸ USP2 O75604 2/20 0.78
▸ TSHR P16473 2/20 0.78
▸ ALOX15 P16050 1/20 0.56
▸ ESR1 P03372 1/20 0.52
▸ TP53 P04637 1/20 0.52
▸ GLA P06280 1/20 0.52
▸ GAA P10253 1/20 0.52

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
SCHEMBL17137830 0.92 ALDH1A1 (1.00) ALDH1A1KDM4EPOLBHSD17B10MAPT
SCHEMBL17137841 0.89 ALDH1A1 (0.82) ALDH1A1KDM4EPOLBHSD17B10MAPT
SCHEMBL17137838 0.85 KDM4E (0.74) ALDH1A1KDM4EPOLBHSD17B10MAPT
SCHEMBL17147421 0.82 KDM4E (0.70) ALDH1A1KDM4EPOLBHSD17B10MAPT
SCHEMBL17137846 0.82 KDM4E (0.69) ALDH1A1KDM4EPOLBHSD17B10MAPT
SCHEMBL17137845 0.81 ALDH1A1 (0.83) ALDH1A1KDM4EPOLBHSD17B10MAPT
SCHEMBL14353509 0.80 TDP1 (0.77) ALDH1A1KDM4EPOLBHSD17B10MAPT
SCHEMBL17147409 0.79 KDM4E (0.64) ALDH1A1KDM4EPOLBHSD17B10MAPT
SCHEMBL17137819 0.79 KDM4E (0.64) ALDH1A1KDM4EPOLBHSD17B10MAPT
SCHEMBL17147482 0.78 KDM4E (0.63) ALDH1A1KDM4EPOLBHSD17B10MAPT

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 9 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
WO-2015153959-A2 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-10-08 — — WO 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 1138/4885POLB 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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