SCHEMBL31074682

SCHEMBL31074682

CSc1nn(COCC[Si](C)(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL27139104 0.83 ALDH1A1 (0.35) ALDH1A1L3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL31074478 0.82 ALDH1A1 (0.32) ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL31074613 0.82 SMN1; SMN2 (0.34) ALDH1A1L3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL20338885 0.82 ALDH1A1 (0.34) ALDH1A1L3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL29189600 0.82 L3MBTL1 (0.36) ALDH1A1L3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL31074590 0.82 ALDH1A1 (0.37) ALDH1A1L3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL30079489 0.81 ALDH1A1 (0.34) ALDH1A1L3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL31074571 0.81 SMN1; SMN2 (0.43) ALDH1A1L3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL30079506 0.80 ALDH1A1 (0.43) ALDH1A1L3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL4016651 0.80 ALDH1A1 (0.43) ALDH1A1L3MBTL1MEN1KMT2ASMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4665734-A1 CYCLIN-DEPENDENT KINASE (CDK2) INHIBITORS Novartis AG (CH) 2025-12-24 EP disclosed
US-20240360137-A1 CYCLIN-DEPENDENT KINASE (CDK2) INHIBITORS NOVARTIS AG (CH) 2024-10-31 US disclosed
WO-2024171094-A1 CYCLIN-DEPENDENT KINASE (CDK2) INHIBITORS NOVARTIS AG (CH) 2024-08-22 WO 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-20240360137-A1 CYCLIN-DEPENDENT KINASE (CDK2) INHIBITORS CDK2, CDK1, CCNK ALDH1A1 4208/4885L3MBTL1 3476/4885MEN1 1739/4885

“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.