SCHEMBL17147422

SCHEMBL17147422

CCOC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2Cc1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.83

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.63
▸ KDM4E B2RXH2 3/20 0.63
▸ HPGD P15428 3/20 0.63
▸ USP2 O75604 2/20 0.63
▸ TSHR P16473 2/20 0.63
▸ HSD17B10 Q99714 2/20 0.63
▸ LMNA P02545 1/20 0.63
▸ MAPT P10636 1/20 0.63
▸ PKM P14618 1/20 0.63
▸ ALOX15 P16050 1/20 0.63
▸ MEN1 O00255 2/20 0.60
▸ POLB P06746 2/20 0.60
▸ KMT2A Q03164 2/20 0.60
▸ MCL1 Q07820 1/20 0.60
▸ GAA P10253 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ SLC2A1 P11166 1/20 0.49
▸ SLC2A2 P11168 1/20 0.49
▸ SLC2A3 P11169 1/20 0.49

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
SCHEMBL17147504 0.93 ALDH1A1 (0.67) ALDH1A1KDM4EHPGDUSP2TSHR
SCHEMBL17147420 0.93 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDUSP2TSHR
SCHEMBL17147429 0.91 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDUSP2TSHR
SCHEMBL17147418 0.91 KDM4E (0.56) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL17148959 0.87 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL17147463 0.87 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDUSP2TSHR
SCHEMBL17147410 0.86 ALDH1A1 (0.69) ALDH1A1KDM4EHPGDUSP2TSHR
SCHEMBL17147416 0.86 ALDH1A1 (0.67) ALDH1A1KDM4EHPGDUSP2TSHR
SCHEMBL17148957 0.86 RXFP1 (0.59) ALDH1A1KDM4EHPGDLMNAMAPT
SCHEMBL17137848 0.86 KDM4E (0.56) ALDH1A1KDM4EHPGDUSP2TSHR

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 1138/4885HPGD 3099/4885

“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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