SCHEMBL5957779

SCHEMBL5957779

COc1ccc(CCC(=O)NCc2ccc([N+](=O)[O-])cc2)cc1OC

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.62
MEN1 O00255 5/20 0.62
MAPT P10636 3/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
ALDH1A1 P00352 3/20 0.62
LMNA P02545 2/20 0.62
KCNH2 Q12809 1/20 0.58
MAPK1 P28482 1/20 0.58
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C19 P33261 1/20 0.56

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
SCHEMBL5957952 0.89 KMT2A (0.51) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL5958183 0.84 ALDH1A1 (0.70) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL5957993 0.83 KMT2A (0.81) KMT2AMEN1SMN1; SMN2ALDH1A1LMNA
SCHEMBL5899127 0.81 ALDH1A1 (0.74) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL5957748 0.80 HPGD (0.68) KMT2AMEN1ALDH1A1
SCHEMBL9523677 0.80 KMT2A (0.60) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL9827799 0.79 KMT2A (0.59) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL17335487 0.79 KMT2A (0.70) KMT2AMEN1ALDH1A1
SCHEMBL29160842 0.78 TRPV1 (0.68) KMT2AMEN1MAPTALDH1A1CYP1A2
SCHEMBL4022887 0.78 KMT2A (0.87) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1

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-20060122065-A1 Amide compound and method of controlling plant disease with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-06-08 US disclosed
EP-1577290-A1 AMIDE COMPOUND AND METHOD OF CONTROLLING PLANT DISEASE WITH THE SAME Sumitomo Chemical Company, Limited (JP) 2005-09-21 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-20060122065-A1 Amide compound and method of controlling plant disease with the same CBR3, C5, CLN6 KMT2A 2654/4885MEN1 3030/4885MAPT 3311/4885

“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.