SCHEMBL804956

SCHEMBL804956

CC(=O)NCC(CC(C)(C)C)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
HIF1A Q16665 1/20 0.33
MTNR1A P48039 4/20 0.33
MTNR1B P49286 4/20 0.33
TSHR P16473 1/20 0.31
CACNA1H O95180 1/20 0.30
ALDH1A1 P00352 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL14753935 0.82
SCHEMBL19542927 0.82 POLB (0.32)
SCHEMBL804973 0.81 TGFBR1 (0.33)
SCHEMBL11982315 0.77 CA1 (0.31)
SCHEMBL804954 0.77 TSHR (0.42) MAPK1TSHRALDH1A1
SCHEMBL21231186 0.77 MTNR1A (0.37) KDM4EMAPK1HIF1AMTNR1AMTNR1B
SCHEMBL17019095 0.77 CCNE2 (0.37) KDM4EMAPK1HIF1AMTNR1AMTNR1B
SCHEMBL15826836 0.73
SCHEMBL13975598 0.73 TSHR (0.38) TSHR
SCHEMBL10076039 0.73 ALDH1A1 (0.30) ALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11673898-B2 Substituted inhibitors of menin-MLL and methods of use KURA ONCOLOGY, INC. (US) 2023-06-13 US disclosed
US-11649251-B2 Substituted inhibitors of menin-MLL and methods of use KURA ONCOLOGY, INC. (US) 2023-05-16 US disclosed
US-10781218-B2 Substituted inhibitors of menin-MLL and methods of use KURA ONCOLOGY, INC. (US) 2020-09-22 US disclosed
US-20190092784-A1 SUBSTITUTED INHIBITORS OF MENIN-MLL AND METHODS OF USE KURA ONCOLOGY, INC. 2019-03-28 US disclosed
EP-1315985-B1 PROCESS FOR SURFACE MODIFYING SUBSTRATES AND MODIFIED SUBSTRATES RESULTING THEREFROM NOVARTIS AG (CH) 2017-07-26 EP disclosed
US-8672466-B2 Ink composition, ink set and image forming method FUJIFILM CORPORATION (JP) 2014-03-18 US disclosed
US-20120069084-A1 INK COMPOSITION, INK SET AND IMAGE FORMING METHOD FUJIFILM CORPORATION (JP) 2012-03-22 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 (4 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-11649251-B2 Substituted inhibitors of menin-MLL and methods of use MLLT1, MEN1, MLLT3 KDM4E 149/4885MAPK1 1106/4885HIF1A 3593/4885
US-20190092784-A1 SUBSTITUTED INHIBITORS OF MENIN-MLL AND METHODS OF USE MLLT1, MEN1, MLLT3 KDM4E 149/4885MAPK1 1106/4885HIF1A 3593/4885
US-11673898-B2 Substituted inhibitors of menin-MLL and methods of use MLLT1, MEN1, MLLT3 KDM4E 151/4885MAPK1 762/4885HIF1A 2530/4885
US-10781218-B2 Substituted inhibitors of menin-MLL and methods of use MLLT1, MEN1, MLLT3 KDM4E 125/4885MAPK1 497/4885HIF1A 2456/4885

“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.