SCHEMBL13806436

SCHEMBL13806436

CC(=O)Nc1c(C)nn(C)c1C(=O)NCc1ccc(C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.58
▸ LMNA P02545 3/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ RAB9A P51151 2/20 0.58
▸ GALR3 O60755 1/20 0.58
▸ NR2F2 P24468 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ PTGER4 P35408 1/20 0.45
▸ TP53 P04637 3/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ POLB P06746 3/20 0.43
▸ ALPL P05186 1/20 0.43
▸ ALPI P09923 1/20 0.43
▸ ALPG P10696 1/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ HPGD P15428 1/20 0.43
▸ MAPT P10636 3/20 0.42
▸ USP2 O75604 1/20 0.42

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
SCHEMBL4288438 0.88 EPHX2 (0.56) KMT2ALMNASMN1; SMN2RAB9AGALR3
SCHEMBL13806437 0.86 LMNA (0.58) KMT2ALMNASMN1; SMN2RAB9AGALR3
SCHEMBL13806438 0.85 KMT2A (0.54) KMT2ALMNASMN1; SMN2RAB9AGALR3
SCHEMBL4281248 0.76 RAB9A (0.55) KMT2ALMNASMN1; SMN2RAB9AGALR3
SCHEMBL4281554 0.76 KMT2A (0.54) KMT2ALMNASMN1; SMN2RAB9AGALR3
SCHEMBL29520232 0.74 LMNA (1.00) KMT2ALMNASMN1; SMN2RAB9AGALR3
SCHEMBL15220623 0.73 LMNA (0.83) KMT2ALMNASMN1; SMN2RAB9AGALR3
SCHEMBL19556424 0.71 KDM4E (0.41) LMNASMN1; SMN2L3MBTL1POLBALDH1A1
SCHEMBL171709 0.70 KMT2A (0.66) KMT2ALMNASMN1; SMN2RAB9ATP53
SCHEMBL9527642 0.70 LMNA (0.77) KMT2ALMNASMN1; SMN2RAB9AGALR3

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-20090156582-A1 Pyrazole Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 — — 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-20090156582-A1 Pyrazole Compound GSK3B, GSK3A, GSKIP KMT2A 871/4885LMNA 2198/4885SMN1; SMN2 4064/4885

“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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