SCHEMBL4484478

SCHEMBL4484478

Cc1cc([NH])nc(C(C)C)n1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
ACHE P22303 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RAB9A P51151 1/20 0.34
GBA1 P04062 1/20 0.33
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31
POLB P06746 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31

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
SCHEMBL2625460 0.83 ALDH1A1 (0.46) ALDH1A1TP53CYP3A4TSHRACHE
SCHEMBL4471413 0.76 LMNA (0.33)
SCHEMBL10167712 0.74 NOS3 (0.43) ALDH1A1TP53CYP3A4TSHRACHE
SCHEMBL7054068 0.73 ALDH1A1 (0.40) ALDH1A1TP53CYP3A4TSHRACHE
SCHEMBL21859229 0.73 ALDH1A1 (0.40) ALDH1A1TP53CYP3A4TSHRACHE
SCHEMBL8204180 0.73 ALDH1A1 (0.40) ALDH1A1TP53CYP3A4TSHRACHE
SCHEMBL3030918 0.73 ALDH1A1 (0.40) ALDH1A1TP53CYP3A4TSHRACHE
SCHEMBL2717428 0.73 NOS2 (0.48) ALDH1A1TP53CYP3A4TSHRACHE
SCHEMBL30445954 0.73 ALDH1A1 (0.40) ALDH1A1TP53CYP3A4TSHRACHE
SCHEMBL30228949 0.73 ALDH1A1 (0.40) ALDH1A1TP53CYP3A4TSHRACHE

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-20090099207-A1 Cyclic sulfones useful as BACE inhibitors RUEEGER HEINRICH 2009-04-16 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-20090099207-A1 Cyclic sulfones useful as BACE inhibitors BACE1, BACE2, APP ALDH1A1 2260/4885TP53 1495/4885CYP3A4 1053/4885

“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.