SCHEMBL8045931

SCHEMBL8045931

CC(=O)CNC(=S)N[C@@H](C)c1ccc(F)cc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.60
MEN1 O00255 4/20 0.60
ATM Q13315 1/20 0.55
HTT P42858 1/20 0.52
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.48
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPC1 O15118 1/20 0.46

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
SCHEMBL8044111 0.86 KMT2A (0.60) KMT2AMEN1ATMHTTALDH1A1
SCHEMBL8060719 0.86 KMT2A (0.60) KMT2AMEN1ATMHTTALDH1A1
SCHEMBL27795750 0.86 KMT2A (0.60) KMT2AMEN1ATMHTTALDH1A1
SCHEMBL12920954 0.81 KMT2A (0.70) KMT2AMEN1ATMHTTALDH1A1
SCHEMBL1617024 0.79 HTT (0.62) KMT2AHTTALDH1A1KDM4ELMNA
SCHEMBL1615756 0.79 HTT (0.62) KMT2AHTTALDH1A1KDM4ELMNA
SCHEMBL4322956 0.79 HTT (0.62) KMT2AHTTALDH1A1KDM4ELMNA
SCHEMBL3923891 0.79 KMT2A (0.63) KMT2AMEN1ATMHTTALDH1A1
SCHEMBL12946361 0.78 KMT2A (0.57) KMT2AMEN1ATMHTTALDH1A1
SCHEMBL4332631 0.78 HTT (0.53) KMT2AHTTALDH1A1KDM4ELMNA

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-20100298381-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2010-11-25 US disclosed
WO-2009045314-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2009-04-09 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-20100298381-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSENEN KMT2A 3636/4885MEN1 2918/4885ATM 2193/4885

“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.