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
SCHEMBL7122998 0.82 BPTF (0.53) BPTFTSHRAPOBEC3AHTTAPOBEC3G
SCHEMBL28534372 0.82 TPMT (0.53) BPTFTSHRALDH1A1SMN1; SMN2TPMT
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.

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