SCHEMBL3028602

SCHEMBL3028602

O=C(NO)c1ccc(-c2ccc(C(=O)NCCCN3CCOCC3)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.77
CD274 Q9NZQ7 8/20 0.69
ALDH1A1 P00352 2/20 0.69
HPGD P15428 1/20 0.69
KDM4E B2RXH2 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
HTR1A P08908 1/20 0.61
MAOA P21397 1/20 0.61
MAOB P27338 1/20 0.61
KCNH2 Q12809 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
MAPK14 Q16539 1/20 0.60

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
SCHEMBL8150783 0.90 CD274 (0.85) TSHRCD274ALDH1A1HPGDKDM4E
SCHEMBL6569882 0.88 CD274 (0.77) TSHRCD274ALDH1A1HPGDKDM4E
SCHEMBL12459935 0.84 CD274 (0.79) TSHRCD274ALDH1A1HPGDKDM4E
Eprobemide SCHEMBL570896 0.84 ALDH1A1 (0.85) TSHRCD274ALDH1A1KDM4ESMN1; SMN2
SCHEMBL763452 0.84 HTT (0.78) TSHRCD274ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1382764 0.84 SMN1; SMN2 (0.95) TSHRCD274ALDH1A1HPGDKDM4E
SCHEMBL2249600 0.83 TSHR (0.74) TSHRCD274ALDH1A1HPGDKDM4E
Eprobemide SCHEMBL10495496 0.83 ALDH1A1 (0.82) TSHRCD274ALDH1A1KDM4ESMN1; SMN2
SCHEMBL8430041 0.82 TSHR (0.73) TSHRCD274ALDH1A1KDM4ESMN1; SMN2
SCHEMBL13762069 0.82 ALDH1A1 (0.82) TSHRCD274ALDH1A1KDM4ESMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216796-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS KATTAR SOLOMON 2010-08-26 US claimed
EP-2205070-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2010-07-14 EP claimed
WO-2009045385-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS MERCK & CO., INC. (US) 2009-04-09 WO claimed
US-20100216796-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS KATTAR SOLOMON 2010-08-26 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-20100216796-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS BRDT, AADAC, ACIN1 TSHR 2036/4885CD274 1833/4885ALDH1A1 1419/4885

“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.