SCHEMBL3031645

SCHEMBL3031645

COC(=O)c1ccc2cc(C(=O)NCc3ccc(F)cc3)ccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.58
NR1H4 Q96RI1 2/20 0.56
LMNA P02545 2/20 0.56
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
CYP2C9 P11712 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
CYP3A4 P08684 1/20 0.52

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
SCHEMBL3030027 0.85 HDAC6 (0.74) MAPTNR1H4LMNAHDAC3HDAC4
SCHEMBL21044728 0.85 NR1H4 (0.76) MAPTNR1H4LMNAKMT2ASMN1; SMN2
SCHEMBL3024525 0.81 HDAC6 (0.72) NR1H4LMNAHDAC3HDAC4HDAC1
SCHEMBL184222 0.81 MAPK14 (0.58) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL184715 0.80 AKR1C3 (0.57) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL6245709 0.79 MEN1 (0.63) MAPTNR1H4MEN1KMT2ASMN1; SMN2
SCHEMBL28858596 0.79 PTPN11 (0.57) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL5462215 0.79 SMO (0.68) TP53
SCHEMBL6077802 0.79 L3MBTL1 (0.77) LMNAMEN1KMT2ASMN1; SMN2HDAC3
SCHEMBL8429875 0.78 LMNA (0.70) MAPTLMNASMN1; SMN2L3MBTL1CYP3A4

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 3 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
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

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 MAPT 974/4885NR1H4 1110/4885LMNA 1918/4885

“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.