Sugi Predict

Sugi Predict / Compounds / SCHEMBL3029989

SCHEMBL3029989

SCHEMBL3029989

COC(=O)c1cccc(-c2cccc(C(=O)NCc3ccccc3)c2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 1/20 0.69
▸ EPHX2 P34913 1/20 0.67
▸ NR1H4 Q96RI1 1/20 0.67
▸ ERN1 O75460 2/20 0.61
▸ HDAC2 Q92769 1/20 0.61
▸ HDAC8 Q9BY41 1/20 0.61
▸ HDAC6 Q9UBN7 1/20 0.61
▸ CHRM3 P20309 1/20 0.60
▸ AURKA O14965 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ GAA P10253 1/20 0.58
▸ HSD17B10 Q99714 1/20 0.58
▸ JAK2 O60674 1/20 0.57
▸ MAP4K4 O95819 1/20 0.57
▸ CHEK2 O96017 1/20 0.57
▸ PRKCG P05129 1/20 0.57
▸ CDK1 P06493 1/20 0.57
▸ FES P07332 1/20 0.57
▸ RET P07949 1/20 0.57
▸ ROS1 P08922 1/20 0.57

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
SCHEMBL13501297 0.87 MMP13 (0.61) NR1H4HDAC2HDAC8HDAC6CHRM3
SCHEMBL3031649 0.84 HDAC8 (0.85) CFDEPHX2NR1H4ERN1HDAC2
SCHEMBL20804537 0.84 SMN1; SMN2 (0.60) HDAC2HDAC8HDAC6ALDH1A1GAA
SCHEMBL1926645 0.84 NPC1 (0.78) CFDEPHX2NR1H4ERN1AURKA
SCHEMBL2571022 0.83 EPHX2 (0.56) EPHX2NR1H4ERN1ALDH1A1KMT2A
SCHEMBL2873962 0.83 KDM5B (0.78) HDAC2HDAC8HDAC6L3MBTL1HTT
SCHEMBL13702381 0.82 PLAU (0.56) ERN1CHRM3ALDH1A1
SCHEMBL4749069 0.82 KMT2A (0.74) EPHX2NR1H4HDAC2HDAC8HDAC6
SCHEMBL1221576 0.82 TSHR (0.67) ERN1HDAC8AXL
SCHEMBL29410906 0.82 TSHR (0.67) ERN1HDAC8AXL

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 6 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 disclosed
US-20100216796-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS KATTAR SOLOMON 2010-08-26 — — US disclosed
US-20100216796-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS KATTAR SOLOMON 2010-08-26 — — US disclosed
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 disclosed
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 disclosed
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 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 CFD 4479/4885EPHX2 734/4885NR1H4 1110/4885

“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.