SCHEMBL25753682

SCHEMBL25753682

COC(=O)C[C@H](N[S+]([O-])C(C)(C)C)c1cccc(-n2nc(C)cc2C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
HPGD P15428 1/20 0.38
KAT6A Q92794 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 1/20 0.35
DGAT2 Q96PD7 1/20 0.35
ITGB1 P05556 2/20 0.35
ITGAV P06756 2/20 0.35
ITGB5 P18084 2/20 0.35
ITGB6 P18564 2/20 0.35
ITGB8 P26012 2/20 0.35
ITGB3 P05106 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
NAMPT P43490 1/20 0.34

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
SCHEMBL24036983 1.00 MAPT (0.38) MAPTHPGDKAT6ASMN1; SMN2POLB
SCHEMBL28709317 0.93 ALDH1A1 (0.37) MAPTHPGDKAT6ASMN1; SMN2POLB
SCHEMBL28690085 0.90 CYP26A1 (0.40) MAPTHPGDKAT6ASMN1; SMN2POLB
SCHEMBL24036981 0.82 LMNA (0.40) MAPTKAT6ADGAT2
SCHEMBL25753678 0.82 LMNA (0.40) MAPTKAT6ADGAT2
SCHEMBL24036729 0.79 MAPT (0.42) MAPTHPGDKAT6ASMN1; SMN2POLB
SCHEMBL25624042 0.78 MAPT (0.44) MAPTHPGDKAT6ASMN1; SMN2POLB
SCHEMBL25623469 0.78 WDR5 (0.31) KMT2AMEN1
SCHEMBL24036980 0.78 CYP3A4 (0.42) MAPTPOLBALDH1A1KMT2AMEN1
SCHEMBL25753686 0.78 CYP3A4 (0.42) MAPTPOLBALDH1A1KMT2AMEN1

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-20230192661-A1 1, 4, 5, 6-TETRAHYDROPYRIMIDINE-2-AMINE DERIVATIVE UBE CORPORATION (JP) 2023-06-22 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-20230192661-A1 1, 4, 5, 6-TETRAHYDROPYRIMIDINE-2-AMINE DERIVATIVE DHFR, DPYD, CYP2D6 MAPT 3157/4885HPGD 1458/4885KAT6A 573/4885

“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.