SCHEMBL6325959

SCHEMBL6325959

CCOC(=O)c1cccn1C(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 5/20 0.51
▸ KMT2A Q03164 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ KCNJ1 P48048 1/20 0.50
▸ KCNH2 Q12809 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ NOD2 Q9HC29 1/20 0.48
▸ NOD1 Q9Y239 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ ELANE P08246 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ MAPT P10636 4/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ LMNA P02545 1/20 0.45

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
SCHEMBL29191002 0.86 POLB (0.51) KMT2AMEN1HTTELANEALDH1A1
SCHEMBL6325084 0.82 LMNA (0.58) KMT2ASMN1; SMN2MEN1NOD2NOD1
SCHEMBL6326811 0.81 MAPK1 (0.56) KMT2ASMN1; SMN2MEN1ALDH1A1MAPT
SCHEMBL4321608 0.80 MAPT (0.58) ARKMT2ASMN1; SMN2KCNJ1KCNH2
4-Nitrobenzoic Acid Ethyl Ester SCHEMBL1500579 0.78 KCNJ1 (0.68) ARKMT2AKCNJ1KCNH2MEN1
4-Nitrobenzoic Acid Ethyl Ester SCHEMBL27941051 0.76 KCNJ1 (0.67) ARKMT2AKCNJ1KCNH2MEN1
4-Nitrobenzoic Acid Ethyl Ester SCHEMBL28242787 0.76 KCNJ1 (0.67) ARKMT2AKCNJ1KCNH2MEN1
4-Nitrobenzoic Acid Ethyl Ester SCHEMBL21246856 0.76 KCNJ1 (0.67) ARKMT2AKCNJ1KCNH2MEN1
SCHEMBL23069579 0.75 TSHR (0.48) SMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL28362521 0.74 KCNJ1 (0.64) ARKMT2AKCNJ1KCNH2MEN1

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-20050124664-A1 Urea thiadiazole inhibitors of plasminogen activator inhibior-1 BRISTOL-MYERS SQUIBB CO. 2005-06-09 — — US claimed
US-20050124664-A1 Urea thiadiazole inhibitors of plasminogen activator inhibior-1 BRISTOL-MYERS SQUIBB CO. 2005-06-09 — — 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-20050124664-A1 Urea thiadiazole inhibitors of plasminogen activator inhibior-1 SERPINE1, SERPINC1, SERPINB1 AR 913/4885KMT2A 4128/4885SMN1; SMN2 3158/4885

“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.

Send feedback