SCHEMBL17147444

SCHEMBL17147444

COC(=O)c1cc(-c2ccco2)nc2nn(CCCOc3ccccc3)c(C)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.47
▸ KDM4E B2RXH2 6/20 0.46
▸ ALDH1A1 P00352 6/20 0.46
▸ POLB P06746 5/20 0.46
▸ HSD17B10 Q99714 4/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ USP2 O75604 2/20 0.46
▸ TSHR P16473 2/20 0.46
▸ HPGD P15428 4/20 0.46
▸ MAPT P10636 3/20 0.46
▸ PKM P14618 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ GAA P10253 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ RECQL P46063 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ UBE2I P63279 2/20 0.41
▸ CACNA1B Q00975 2/20 0.41

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
SCHEMBL17147448 0.92 KDM4E (0.50) L3MBTL1KDM4EALDH1A1POLBHSD17B10
SCHEMBL17137834 0.86 ALDH1A1 (0.60) L3MBTL1KDM4EALDH1A1POLBHSD17B10
SCHEMBL17147455 0.84 ALDH1A1 (0.49) L3MBTL1KDM4EALDH1A1POLBHSD17B10
SCHEMBL21548389 0.84 UBE2I (0.40) KDM4EALDH1A1POLBHSD17B10MEN1
SCHEMBL17147437 0.83 UBE2I (0.46) KDM4EALDH1A1POLBHSD17B10MEN1
SCHEMBL17147435 0.82 ALDH1A1 (0.44) KDM4EALDH1A1POLBHSD17B10MEN1
SCHEMBL17147446 0.81 ALDH1A1 (0.47) L3MBTL1KDM4EALDH1A1POLBHSD17B10
SCHEMBL17147453 0.81 ALDH1A1 (0.47) L3MBTL1KDM4EALDH1A1POLBHSD17B10
SCHEMBL17147454 0.81 ALDH1A1 (0.45) KDM4EALDH1A1POLBHSD17B10MEN1
SCHEMBL17147428 0.81 ALDH1A1 (0.49) L3MBTL1KDM4EALDH1A1POLBHSD17B10

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 L3MBTL1 189/4885KDM4E 1138/4885ALDH1A1 1518/4885

“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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