SCHEMBL25753686

SCHEMBL25753686

COC(=O)C[C@H](N[S+]([O-])C(C)(C)C)c1cccc(N2CCOCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.42
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP19A1 P11511 1/20 0.42
CYP2C9 P11712 1/20 0.42
KMO O15229 1/20 0.40
CYP2D6 P10635 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
SLC6A9 P48067 1/20 0.39
SLC6A5 Q9Y345 1/20 0.39
PLOD2 O00469 2/20 0.39
PLOD3 O60568 2/20 0.39
PLOD1 Q02809 2/20 0.39
PGR P06401 1/20 0.39
AR P10275 1/20 0.39
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38

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
SCHEMBL24036980 1.00 CYP3A4 (0.42) CYP3A4KCNQ3KCNQ2CYP1A2CYP19A1
SCHEMBL25623469 0.81 WDR5 (0.31) CYP2D6MEN1KMT2AGFER
SCHEMBL25623356 0.80 KCNA5 (0.37) MAPT
SCHEMBL25753667 0.80 KCNA5 (0.37) MAPT
SCHEMBL24036552 0.79 CYP3A4 (0.46) CYP3A4KCNQ3KCNQ2CYP1A2CYP19A1
SCHEMBL24036981 0.78 LMNA (0.40) MAPT
SCHEMBL25753678 0.78 LMNA (0.40) MAPT
SCHEMBL24036979 0.78 WDR5 (0.43) ALDH1A1MEN1KMT2A
SCHEMBL24036985 0.78 KCNA5 (0.47) CYP1A2ALDH1A1MAPTMEN1KMT2A
SCHEMBL25753676 0.78 KCNA5 (0.47) CYP1A2ALDH1A1MAPTMEN1KMT2A

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 CYP3A4 92/4885KCNQ3 1839/4885KCNQ2 1362/4885

“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.