SCHEMBL286793

SCHEMBL286793

CC(C)NC(=O)CN1C=CCC(C(=O)NNS(C)(=O)=O)=C1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.33
CHRM5 P08912 1/20 0.32
CHRM3 P20309 1/20 0.32
GRIN2B Q13224 1/20 0.31
KDM4E B2RXH2 3/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 4/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL287161 0.89 CHRM5 (0.37) KMT2AMEN1HTTCHRM5CHRM3
SCHEMBL660526 0.78 KAT6A (0.35) KMT2AMEN1GRIN2BKDM4EALDH1A1
SCHEMBL658639 0.76 ALDH1A1 (0.39) KMT2AHTTALDH1A1SMN1; SMN2
SCHEMBL287773 0.75 ALDH1A1 (0.39) KMT2AMEN1HTTNPC1ALDH1A1
SCHEMBL661083 0.75 ALDH1A1 (0.39) KMT2AMEN1KDM4EALDH1A1L3MBTL1
SCHEMBL297855 0.75 ALDH1A1 (0.42) KMT2AMEN1HTTGRIN2BKDM4E
SCHEMBL27573159 0.74 KMT2A (0.37) KMT2AMEN1HTTCHRM5CHRM3
SCHEMBL662691 0.74 KMT2A (0.37) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL287649 0.69 GRIN2B (0.38) GRIN2BALDH1A1
SCHEMBL660872 0.69 KDM4E (0.34) KMT2AHTTKDM4ENPC1ALDH1A1

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-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 US claimed
EP-2427432-A2 NOVEL HETEROCYCLIC COMPOUNDS Torrent Pharmaceuticals Limited (IN) 2012-03-14 EP disclosed
US-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 US disclosed
WO-2010128528-A2 NOVEL HETEROCYCLIC COMPOUNDS TORRENT PHARMACEUTICALS LIMITED (IN) 2010-11-11 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-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS AGER, REN, AGT KMT2A 4512/4885MEN1 1455/4885HTT 75/4885

“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.