SCHEMBL12200810

SCHEMBL12200810

CNC(=O)c1ccccc1CON1C(C)(C)CCCC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.41
NR3C1 P04150 1/20 0.37
HCN4 Q9Y3Q4 2/20 0.37
PLK1 P53350 1/20 0.36
BRD4 O60885 2/20 0.35
KAT2B Q92831 1/20 0.35
BAZ2B Q9UIF8 1/20 0.35
BRD2 P25440 1/20 0.35
BRD3 Q15059 1/20 0.35
BRDT Q58F21 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 4/20 0.35
HDAC4 P56524 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 2/20 0.34
HCN1 O60741 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
SCHEMBL2517872 0.86 ALDH1A1 (0.46) GAAMEN1KMT2AALDH1A1HPGD
SCHEMBL2512584 0.85 TP53 (0.43) BRD4ALDH1A1TSHR
SCHEMBL27806549 0.78 TP53 (0.37) BRD4MEN1KMT2AALDH1A1
SCHEMBL2516710 0.78 ALDH1A1 (0.38) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL12227559 0.73 KMT2A (0.33) MEN1KMT2AALDH1A1HPGDL3MBTL1
SCHEMBL27784696 0.73 FOLH1 (0.44) BRD4MEN1KMT2AALDH1A1TSHR
SCHEMBL8439145 0.72 DRD2 (0.40) GAAMEN1KMT2AALDH1A1HPGD
SCHEMBL2139487 0.70 ALDH1A1 (0.49) ALDH1A1TSHR
SCHEMBL5954191 0.69 GAA (0.57) GAAPLK1BRD4BRD2BRD3
SCHEMBL6544243 0.68 TSHR (0.44) GAAMEN1KMT2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8034623-B2 Method for free radical initiated peptide sequencing University-Industry Cooperation Foundation, Sogang University (KR) 2011-10-11 US disclosed
US-20100240139-A1 FREE RADICAL INITIATOR AND METHOD FOR PEPTIDE SEQUENCING USING THE SAME University-Industry Cooperation Foundation Sogang University (KR) 2010-09-23 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-20100240139-A1 FREE RADICAL INITIATOR AND METHOD FOR PEPTIDE SEQUENCING USING THE SAME PRDX5, PRDX2, PRDX4 GAA 4820/4885NR3C1 4216/4885HCN4 1300/4885

“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.