SCHEMBL14770517

SCHEMBL14770517

CCCS(=O)(=O)c1cnc2[nH]c(C(O)c3ccc(OC)cc3)nc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CHEK2 O96017 1/20 0.35
MMP13 P45452 2/20 0.35
MMP1 P03956 2/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RECQL P46063 1/20 0.34
FGFR1 P11362 2/20 0.34
FGFR2 P21802 2/20 0.34
TP53 P04637 1/20 0.34
CNR1 P21554 1/20 0.33
ROCK2 O75116 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
SCHEMBL14774042 0.89 CYP2C9 (0.43) TP53
SCHEMBL14770511 0.77 MEN1 (0.44) ALDH1A1GAAMAPTCHEK2HTT
SCHEMBL14770725 0.77 MEN1 (0.39) ALDH1A1SMN1; SMN2GAAMAPTCHEK2
SCHEMBL14770724 0.77 MEN1 (0.41) ALDH1A1GAACHEK2GRIN1GRIN2B
SCHEMBL12066548 0.73 CYP2C9 (0.51) MAPTTP53
SCHEMBL14770516 0.71 GAA (0.46) ALDH1A1GAAKDM4ECHEK2RECQL
SCHEMBL14770471 0.69 MEN1 (0.55) ALDH1A1SMN1; SMN2GAAMAPTKDM4E
SCHEMBL14770690 0.67 MLKL (0.52) ALDH1A1SMN1; SMN2GAAMAPTKDM4E
SCHEMBL14770513 0.67 MLKL (0.43) ALDH1A1GAAMAPTCHEK2LMNA
SCHEMBL14762777 0.66 TOP2A (0.36)

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-9096531-B2 Fused imidazole derivative TOA EIYO LTD. (JP) 2015-08-04 US disclosed
US-20130065896-A1 FUSED IMIDAZOLE DERIVATIVE TOA EIYO LTD. (JP) 2013-03-14 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 (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-20130065896-A1 FUSED IMIDAZOLE DERIVATIVE CACNA1E, CACNA1G, CACNA1A ALDH1A1 4252/4885SMN1; SMN2 1964/4885GAA 3586/4885

“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.