SCHEMBL17147486

SCHEMBL17147486

Cc1c2c(C(=O)O)cc(-c3ccco3)nc2nn1-c1cccc(Cl)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 10/20 0.75
▸ KDM4E B2RXH2 9/20 0.75
▸ MEN1 O00255 8/20 0.75
▸ KMT2A Q03164 8/20 0.75
▸ ALDH1A1 P00352 7/20 0.75
▸ MAPT P10636 5/20 0.75
▸ HPGD P15428 4/20 0.75
▸ MCL1 Q07820 3/20 0.75
▸ NPSR1 Q6W5P4 2/20 0.75
▸ RECQL P46063 6/20 0.62
▸ TDP1 Q9NUW8 6/20 0.62
▸ L3MBTL1 Q9Y468 6/20 0.62
▸ HSD17B10 Q99714 4/20 0.62
▸ PKM P14618 3/20 0.59
▸ CTDSP1 Q9GZU7 2/20 0.59
▸ TSHR P16473 2/20 0.49
▸ USP2 O75604 1/20 0.49
▸ GAA P10253 3/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ CACNA1B Q00975 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
SCHEMBL17147421 0.92 KDM4E (0.70) POLBKDM4EMEN1KMT2AALDH1A1
SCHEMBL17147440 0.89 ALDH1A1 (0.63) POLBKDM4EMEN1KMT2AALDH1A1
SCHEMBL17137830 0.86 ALDH1A1 (1.00) POLBKDM4EMEN1KMT2AALDH1A1
SCHEMBL17147462 0.82 ALDH1A1 (0.59) POLBKDM4EMEN1KMT2AALDH1A1
SCHEMBL17147432 0.82 KDM4E (0.58) POLBKDM4EMEN1KMT2AALDH1A1
SCHEMBL17147485 0.78 ALDH1A1 (0.55) POLBKDM4EMEN1KMT2AALDH1A1
SCHEMBL17137827 0.77 ALDH1A1 (1.00) POLBKDM4EMEN1KMT2AALDH1A1
SCHEMBL11894714 0.76 POLB (0.61) POLBKDM4EMEN1KMT2AALDH1A1
SCHEMBL17147451 0.76 ALDH1A1 (0.50) POLBKDM4EMEN1KMT2AALDH1A1
SCHEMBL17137845 0.75 ALDH1A1 (0.83) POLBKDM4EMEN1KMT2AALDH1A1

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 POLB 2777/4885KDM4E 1138/4885MEN1 594/4885

“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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