SCHEMBL5410484

SCHEMBL5410484

O=Cc1[nH]ccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
ERN1 O75460 2/20 0.39
ALDH5A1 P51649 1/20 0.39
ABAT P80404 1/20 0.39
VCAM1 P19320 1/20 0.39
TDP1 Q9NUW8 2/20 0.35
XDH P47989 1/20 0.35
GPR35 Q9HC97 1/20 0.34
MAPT P10636 3/20 0.34
HSD17B10 Q99714 2/20 0.34
KDM4E B2RXH2 2/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
PRKDC P78527 1/20 0.34
ALDH3A1 P30838 1/20 0.33
TXNRD1 Q16881 1/20 0.33
TXNRD3 Q86VQ6 1/20 0.33
TXNRD2 Q9NNW7 1/20 0.33
ALDH1A3 P47895 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL2675174 0.82 ALDH1A1 (0.40) ALDH1A1ERN1ALDH5A1ABATTDP1
SCHEMBL2890666 0.75 ALDH1A1 (0.47) ALDH1A1TDP1GPR35MAPTHSD17B10
SCHEMBL30495845 0.73 ALDH1A1 (0.50) ALDH1A1ERN1CYP3A4ALDH3A1MEN1
SCHEMBL9015211 0.71 ALDH1A1 (0.44) ALDH1A1TDP1GPR35MAPTHSD17B10
SCHEMBL1545421 0.71 ALDH1A1 (0.53) ALDH1A1TDP1GPR35MAPTHSD17B10
SCHEMBL3244132 0.71 ALDH1A1 (0.41) ALDH1A1TDP1GPR35MAPTHSD17B10
SCHEMBL10232401 0.71 MAPT (0.41) ALDH1A1ERN1XDHMAPTHSD17B10
SCHEMBL31472833 0.70
SCHEMBL12778730 0.70
SCHEMBL1774516 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117327057-A Triazine diketone compound as thyroid hormone receptor agonist and synthesis and application thereof 南京雷正医药科技有限公司 2024-01-02 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-7157577-B2 5-sulfonamido-substituted indolinone compounds as protein kinase inhibitors SUGEN INC. (US) 2007-01-02 US disclosed
US-7157577-B2 5-sulfonamido-substituted indolinone compounds as protein kinase inhibitors SUGEN INC. (US) 2007-01-02 US disclosed
US-20040266843-A1 Sulfonamide substituted indolinones as inhibitors of DNA dependent protein kinase (DNA-PK) SUGEN, INC. 2004-12-30 US disclosed
US-20040204407-A1 5-sulfonamido-substituted indolinone compounds as protein kinase inhibitors SUGEN INC. 2004-10-14 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 (2 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-20040204407-A1 5-sulfonamido-substituted indolinone compounds as protein kinase inhibitors DMPK, MAP3K20, PHKG1 ALDH1A1 3457/4885ERN1 563/4885ALDH5A1 2533/4885
US-20040266843-A1 Sulfonamide substituted indolinones as inhibitors of DNA dependent protein kinase (DNA-PK) CHEK2, CHEK1, ATM ALDH1A1 2442/4885ERN1 675/4885ALDH5A1 1107/4885

“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.