SCHEMBL32670682

SCHEMBL32670682

Cc1nc(NC(=O)OC(C)(C)C)sc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 2/20 0.50
RECQL P46063 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
THRB P10828 1/20 0.50
PI4KB Q9UBF8 1/20 0.49
LCK P06239 5/20 0.48
CYP2C19 P33261 2/20 0.48
USP2 O75604 1/20 0.48
CYP2C9 P11712 1/20 0.48
PIK3CD O00329 3/20 0.47
PIK3CA P42336 3/20 0.47
PIK3CB P42338 3/20 0.47
PIK3CG P48736 3/20 0.47
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45

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
SCHEMBL48371 0.83 PIK3CD (0.67) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL3602972 0.79 PIK3CD (0.50) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL27930246 0.78 XDH (0.45) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL3949427 0.76 DYRK1A (0.70) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL3953825 0.76 ACP1 (0.60) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL30493298 0.76 DYRK1A (0.70) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL5049032 0.76 MEN1 (0.64) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL5048932 0.74 MAPT (0.49) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL1532248 0.73 KMT2A (0.59) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL26087243 0.73 LCK (0.60) MAPTMEN1KMT2ALCKALDH1A1

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-20260034105-A1 Generative AI-Assisted Identification of Novel PI3K-alpha Inhibitors THE FIRST AFFILIATED HOSPITAL OF XI'AN JIAOTONG UNIVERSITY (CN) 2026-02-05 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-20260034105-A1 Generative AI-Assisted Identification of Novel PI3K-alpha Inhibitors PIK3R1, PIK3R4, PIK3R2 MAPT 4207/4885MEN1 4252/4885KMT2A 2776/4885

“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.