SCHEMBL12920945

SCHEMBL12920945

CCNC(=S)N[C@H](CCO)c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.53
MEN1 O00255 6/20 0.53
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ATM Q13315 1/20 0.43
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL12920995 0.86 KMT2A (0.49) KMT2AMEN1ALDH1A1HTTL3MBTL1
SCHEMBL12920954 0.81 KMT2A (0.70) KMT2AMEN1ALDH1A1HTTL3MBTL1
SCHEMBL8070518 0.81 KMT2A (0.44) KMT2AMEN1ALDH1A1HTTATM
SCHEMBL8069232 0.78 KMT2A (0.41) KMT2AMEN1ALDH1A1ATMGAA
SCHEMBL4740056 0.74 CACNA1B (0.38) KMT2AMEN1HTT
SCHEMBL12920942 0.73 KMT2A (0.46) KMT2AMEN1ALDH1A1HTTL3MBTL1
SCHEMBL4075272 0.73 CNR2 (0.43) ALDH1A1HTT
SCHEMBL5662464 0.73 CNR2 (0.43) ALDH1A1HTT
SCHEMBL3923891 0.73 KMT2A (0.63) KMT2AMEN1ALDH1A1HTTATM
SCHEMBL5463448 0.71 KMT2A (0.44) KMT2AMEN1ALDH1A1ATM

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-20110009392-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-01-13 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-20110009392-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 KMT2A 3290/4885MEN1 2674/4885ALDH1A1 3991/4885

“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.