SCHEMBL23979335

SCHEMBL23979335

CN(C)c1ccccc1NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.56
KDM4E B2RXH2 3/20 0.56
KMT2A Q03164 6/20 0.54
MEN1 O00255 5/20 0.54
ALDH1A1 P00352 6/20 0.53
MYC P01106 1/20 0.51
MAX P61244 1/20 0.51
GAA P10253 3/20 0.49
NPSR1 Q6W5P4 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
POLB P06746 1/20 0.44
CYP2C9 P11712 1/20 0.44
XBP1 P17861 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
P2RX1 P51575 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL4555506 0.82 MAPT (0.59) MAPTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL11704484 0.81 KCNQ2 (0.44) MAPTKMT2AMEN1ALDH1A1GAA
SCHEMBL4554269 0.80 MAPT (0.57) MAPTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL522270 0.79 MAPT (0.54) MAPTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL19805293 0.79 MAPT (0.50) MAPTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL4554274 0.78 MAPT (0.59) MAPTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL10221543 0.78 MAPT (0.69) MAPTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL11009249 0.77 MAPT (0.67) MAPTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL19805281 0.77 MAPT (0.57) MAPTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL22567749 0.73 MAPT (0.78) MAPTKDM4EKMT2AMEN1ALDH1A1

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-20210340113-A1 PROCESS FOR PREPARATION OF OPTICALLY ENRICHED ALDOL COMPOUNDS BASF SE (DE) 2021-11-04 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-20210340113-A1 PROCESS FOR PREPARATION OF OPTICALLY ENRICHED ALDOL COMPOUNDS ADH5, ALDOA, ACACB MAPT 1411/4885KDM4E 746/4885KMT2A 1702/4885

“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.