SCHEMBL4288438

SCHEMBL4288438

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

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 16/20 0.56
▸ NR1H4 Q96RI1 13/20 0.56
▸ KMT2A Q03164 3/20 0.54
▸ RAB9A P51151 3/20 0.54
▸ LMNA P02545 2/20 0.54
▸ GALR3 O60755 1/20 0.54
▸ NR2F2 P24468 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ HDAC3 O15379 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ NPC1 O15118 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL13806436 0.88 KMT2A (0.58) KMT2ARAB9ALMNAGALR3NR2F2
SCHEMBL4281248 0.88 RAB9A (0.55) EPHX2NR1H4KMT2ARAB9ALMNA
SCHEMBL4281554 0.88 KMT2A (0.54) EPHX2NR1H4KMT2ARAB9ALMNA
SCHEMBL9527642 0.83 LMNA (0.77) EPHX2NR1H4KMT2ARAB9ALMNA
SCHEMBL10339786 0.81 EPHX2 (0.54) EPHX2NR1H4KMT2ARAB9ALMNA
SCHEMBL13806438 0.77 KMT2A (0.54) KMT2ARAB9ALMNAGALR3NR2F2
SCHEMBL11938558 0.77 LMNA (0.57) EPHX2NR1H4KMT2ARAB9ALMNA
SCHEMBL15167081 0.76 KMT2A (0.55) EPHX2NR1H4KMT2ARAB9ALMNA
SCHEMBL13806437 0.75 LMNA (0.58) KMT2ARAB9ALMNAGALR3NR2F2
SCHEMBL11938556 0.75 LMNA (0.58) EPHX2NR1H4KMT2ARAB9ALMNA

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-20090156582-A1 Pyrazole Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 — — US claimed
EP-1847531-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-24 — — EP claimed
US-20090156582-A1 Pyrazole Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 — — US disclosed
EP-1847531-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-24 — — EP 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 EPHX2 2232/4885NR1H4 595/4885KMT2A 871/4885

“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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