SCHEMBL17147455

SCHEMBL17147455

COC(=O)c1cc(-c2ccco2)nc2nn(Cc3ccccc3)c(C)c12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.49
▸ KDM4E B2RXH2 6/20 0.49
▸ HSD17B10 Q99714 5/20 0.49
▸ POLB P06746 5/20 0.49
▸ MEN1 O00255 4/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ USP2 O75604 2/20 0.49
▸ TSHR P16473 2/20 0.49
▸ MAPK1 P28482 2/20 0.48
▸ SCD O00767 1/20 0.48
▸ SCD5 Q86SK9 1/20 0.48
▸ MAPT P10636 5/20 0.48
▸ CASP1 P29466 1/20 0.48
▸ CASP7 P55210 1/20 0.48
▸ HPGD P15428 3/20 0.47
▸ PKM P14618 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ ALOX15 P16050 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
SCHEMBL17147446 0.96 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10POLBMEN1
SCHEMBL17147453 0.94 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10POLBMEN1
SCHEMBL17147437 0.93 UBE2I (0.46) ALDH1A1KDM4EHSD17B10POLBMEN1
SCHEMBL17147442 0.93 SLC2A1 (0.46) ALDH1A1KDM4EHSD17B10POLBMEN1
SCHEMBL17149352 0.92 UBE2I (0.50) ALDH1A1KDM4EHSD17B10POLBMEN1
SCHEMBL17147435 0.91 ALDH1A1 (0.44) ALDH1A1KDM4EHSD17B10POLBMEN1
SCHEMBL17147454 0.91 ALDH1A1 (0.45) ALDH1A1KDM4EHSD17B10POLBMEN1
SCHEMBL17147485 0.90 ALDH1A1 (0.55) ALDH1A1KDM4EHSD17B10POLBMEN1
SCHEMBL17147511 0.89 SLC2A1 (0.46) ALDH1A1KDM4EHSD17B10POLBMEN1
SCHEMBL17147433 0.89 SLC2A1 (0.44) ALDH1A1KDM4EHSD17B10POLBMEN1

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 4 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-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 1138/4885HSD17B10 4391/4885

“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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