SCHEMBL2496426

SCHEMBL2496426

CC(C)[C@@H](C(=O)N(C)C)N(Cc1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
HPGD P15428 1/20 0.50
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MMP9 P14780 3/20 0.45
MMP8 P22894 3/20 0.45
MMP2 P08253 2/20 0.45
MMP13 P45452 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43

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
SCHEMBL319301 0.90 KMT2A (0.53) KMT2AMEN1HPGDALDH1A1LMNA
SCHEMBL20658122 0.85 LMNA (0.58) KMT2AMEN1HPGDALDH1A1LMNA
SCHEMBL2493250 0.83 KMT2A (0.56) KMT2AMEN1HPGDALDH1A1LMNA
SCHEMBL15855790 0.83 KMT2A (0.56) KMT2AMEN1HPGDALDH1A1LMNA
SCHEMBL15855771 0.79 KMT2A (0.47) KMT2AMEN1HPGDALDH1A1LMNA
SCHEMBL1205835 0.79 KMT2A (0.50) KMT2AMEN1HPGDALDH1A1LMNA
SCHEMBL3768703 0.78 MEN1 (0.47) KMT2AMEN1HPGDALDH1A1LMNA
SCHEMBL1885056 0.77 ALDH1A1 (0.54) KMT2AMEN1HPGDALDH1A1LMNA
SCHEMBL15855816 0.77 KMT2A (0.49) KMT2AMEN1HPGDALDH1A1LMNA
SCHEMBL15855817 0.77 KMT2A (0.49) KMT2AMEN1HPGDALDH1A1LMNA

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-8030499-B2 1,3-dihydro-2H-indole-2-one compound and pyrrolidine-2-one compound fused with aromatic heterocycle TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-10-04 US disclosed
US-20080318923-A1 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-25 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-20080318923-A1 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle AVPR1B, AVPR1A, AVPR2 KMT2A 1662/4885MEN1 527/4885HPGD 341/4885

“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.