SCHEMBL25694835

SCHEMBL25694835

Cc1c(C=O)ccc2c1cc(C#N)n2CC(=O)N1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ GLA P06280 1/20 0.51
▸ SCN7A Q01118 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ GAA P10253 3/20 0.39
▸ CNR2 P34972 1/20 0.38
▸ GRIN2B Q13224 3/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ TSHR P16473 1/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ CHRM4 P08173 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ RAB9A P51151 1/20 0.37

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
SCHEMBL19369432 0.90 LMNA (0.42) L3MBTL1LMNAGLASCN7AKCNH2
SCHEMBL29480889 0.85 DTYMK (0.43) L3MBTL1LMNAGLAKCNH2HSD17B10
SCHEMBL19358789 0.85 DTYMK (0.43) L3MBTL1LMNAGLAKCNH2HSD17B10
SCHEMBL21835622 0.81 LMNA (0.35) L3MBTL1LMNAGLAALDH1A1TSHR
SCHEMBL25694815 0.79 ESR1 (0.33) L3MBTL1LMNAGLAALDH1A1CYP3A4
SCHEMBL25596924 0.79 ESR1 (0.33) L3MBTL1LMNAGLAALDH1A1CYP3A4
SCHEMBL19358786 0.78 P2RX7 (0.37) L3MBTL1LMNAGLAALDH1A1TSHR
SCHEMBL17596607 0.77 GAA (0.37) LMNAKCNH2ALDH1A1HSD17B10MAPT
SCHEMBL30406055 0.76 ALDH1A1 (0.42) LMNAALDH1A1HSD17B10MAPTCNR2
SCHEMBL25421973 0.76 ESR1 (0.37) L3MBTL1ALDH1A1MAPTMEN1KMT2A

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 1 patent. 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

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-11673898-B2 Substituted inhibitors of menin-MLL and methods of use MLLT1, MEN1, MLLT3 L3MBTL1 511/4885LMNA 907/4885GLA 3877/4885

“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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