SCHEMBL13545967

SCHEMBL13545967

COC(=O)c1sc([N+](=O)[O-])cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
LMNA P02545 5/20 0.45
COMT P21964 1/20 0.44
PDGFRB P09619 1/20 0.41
FGFR1 P11362 1/20 0.41
PDGFRA P16234 1/20 0.41
FLT1 P17948 1/20 0.41
FGFR3 P22607 1/20 0.41
KDR P35968 1/20 0.41
MAPT P10636 3/20 0.41
HTT P42858 2/20 0.41
KMT2A Q03164 4/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALOX15 P16050 1/20 0.39
MITF O75030 1/20 0.39

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
SCHEMBL2978000 0.85 COMT (0.49) ALDH1A1LMNACOMTMAPTHTT
Hydrochloric Acid SCHEMBL10731665 0.82 MAPT (0.47) ALDH1A1LMNACOMTMAPTHTT
SCHEMBL10639290 0.82 LMNA (0.40) ALDH1A1LMNAMAPTHTTKMT2A
SCHEMBL5726136 0.80 LMNA (0.40) ALDH1A1LMNAMAPTHTTKMT2A
SCHEMBL4311290 0.80 TSHR (0.43) ALDH1A1LMNAMAPTHTTKMT2A
SCHEMBL10746173 0.80 ALDH1A1 (0.53) ALDH1A1LMNACOMTMAPTHTT
SCHEMBL13545968 0.80 ALDH1A1 (0.40) ALDH1A1LMNACOMTPDGFRBFGFR1
SCHEMBL6593278 0.79 LMNA (0.38) ALDH1A1LMNAMAPTHTTKMT2A
SCHEMBL18358038 0.78 ALDH1A1 (0.50) ALDH1A1LMNACOMTPDGFRBFGFR1
SCHEMBL10639764 0.77 SMN1; SMN2 (0.48) ALDH1A1LMNAMAPTHTTKMT2A

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-20100009973-A1 Integrase Inhibitors 3 AVEXA LIMITED (AU) 2010-01-14 US disclosed
WO-2007124546-A1 INTEGRASE INHIBITORS 3 AVEXA LIMITED (AU) 2007-11-08 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-20100009973-A1 Integrase Inhibitors 3 TYMP, IMPDH1, IMPDH2 ALDH1A1 1001/4885LMNA 1818/4885COMT 710/4885

“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.