SCHEMBL26115151

SCHEMBL26115151

Cc1cnc(Cl)c2cc(NC(=O)O)sc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
KMT2A Q03164 3/20 0.34
RXFP1 Q9HBX9 2/20 0.34
MEN1 O00255 2/20 0.34
ROCK2 O75116 1/20 0.34
TP53 P04637 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MAPT P10636 3/20 0.33
NFKB1 P19838 2/20 0.33
NFKB2 Q00653 2/20 0.33
RELA Q04206 2/20 0.33
GAA P10253 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
DAO P14920 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPK1 P28482 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL26530966 0.83 LCK (0.42)
SCHEMBL30587248 0.83 LCK (0.42)
SCHEMBL26116056 0.79 DAO (0.49) KMT2AMEN1TP53SMN1; SMN2MAPT
SCHEMBL30587276 0.79 DAO (0.49) KMT2AMEN1TP53SMN1; SMN2MAPT
SCHEMBL30587255 0.77 ATR (0.42) TP53
SCHEMBL26116037 0.75 CSNK2A2 (0.46) KMT2ARXFP1MEN1TP53SMN1; SMN2
SCHEMBL30587256 0.75 CSNK2A2 (0.46) KMT2ARXFP1MEN1TP53SMN1; SMN2
SCHEMBL20772001 0.74 SELE (0.32)
SCHEMBL26116018 0.72 RAB9A (0.39) HDAC3HDAC1HDAC6KMT2AMEN1
SCHEMBL26117705 0.66 ALDH1A1 (0.41) KMT2AMEN1TP53SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240043451-A1 KRAS INHIBITORS ELI LILLY AND COMPANY 2024-02-08 US disclosed
WO-2023183585-A1 KRAS INHIBITORS ELI LILLY AND COMPANY (US) 2023-09-28 WO 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-20240043451-A1 KRAS INHIBITORS KRAS, NRAS, HRAS HDAC3 1509/4885HDAC1 1452/4885HDAC6 1312/4885

“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.