SCHEMBL5779960

SCHEMBL5779960

COc1cc(C(N)=O)cc(I)c1OC

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.74
TSHR P16473 3/20 0.65
APOBEC3A P31941 1/20 0.65
HTT P42858 1/20 0.65
APOBEC3G Q9HC16 1/20 0.65
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NCOA1 Q15788 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
TPMT P51580 2/20 0.49
MAPK1 P28482 1/20 0.45
TUBB4A P04350 2/20 0.44
TUBB P07437 2/20 0.44
TUBA3C P0DPH7 2/20 0.44
TUBA1B P68363 2/20 0.44
TUBA4A P68366 2/20 0.44
TUBB4B P68371 2/20 0.44
TUBB3 Q13509 2/20 0.44
TUBB2A Q13885 2/20 0.44
TUBB8 Q3ZCM7 2/20 0.44

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
3,4,5-Trimethoxybenzamide SCHEMBL1326890 0.87 TSHR (0.76) BPTFTSHRAPOBEC3AHTTAPOBEC3G
3,4,5-Trimethoxybenzamide SCHEMBL4381076 0.85 TSHR (0.73) BPTFTSHRAPOBEC3AHTTAPOBEC3G
SCHEMBL3544388 0.84 TPMT (0.69) BPTFTSHRAPOBEC3AHTTAPOBEC3G
SCHEMBL7122014 0.84 LMNA (0.58) BPTFTSHRAPOBEC3AHTTAPOBEC3G
SCHEMBL18476765 0.82 BPTF (0.60) BPTFTSHRAPOBEC3AHTTAPOBEC3G
SCHEMBL28534372 0.82 TPMT (0.53) BPTFTSHRALDH1A1SMN1; SMN2TPMT
SCHEMBL7122998 0.82 BPTF (0.53) BPTFTSHRAPOBEC3AHTTAPOBEC3G
SCHEMBL2651012 0.81 ALDH1A1 (0.57) BPTFHTTALDH1A1SMN1; SMN2TPMT
SCHEMBL16774648 0.81 BPTF (0.71) BPTFTSHRAPOBEC3AHTTAPOBEC3G
SCHEMBL30311442 0.80 TPMT (0.71) BPTFTSHRAPOBEC3AHTTAPOBEC3G

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-20060276433-A1 Hydrazone derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-12-07 US disclosed
EP-1612204-A1 HYDRAZONE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-04 EP 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-20060276433-A1 Hydrazone derivative APP, PRNP, HTT BPTF 1566/4885TSHR 1807/4885APOBEC3A 4299/4885

“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.