SCHEMBL3028292

SCHEMBL3028292

NC(=O)c1ccc2cc(C(=O)N(O)Cc3csc(Cc4ccccc4)n3)ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.48
HDAC1 Q13547 3/20 0.45
HDAC6 Q9UBN7 3/20 0.45
HDAC8 Q9BY41 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
PLA2G10 O15496 1/20 0.40
PLA2G2A P14555 1/20 0.40
KLKB1 P03952 2/20 0.39
KLK1 P06870 1/20 0.39
BRD4 O60885 1/20 0.38
PLAU P00749 2/20 0.38
CHEK2 O96017 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL3035153 0.74 MEN1 (0.53) KLKB1KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL3458554 0.73 LMNA (0.44) HDAC1KLKB1ALDH1A1LMNASMN1; SMN2
SCHEMBL3035055 0.70 HDAC6 (0.57) ENPP2HDAC1HDAC6HDAC8KLKB1
SCHEMBL3034523 0.70 MAOB (0.52) PLAUALDH1A1
SCHEMBL3031503 0.68 PARP1 (0.54) PLAU
SCHEMBL15651710 0.68 HDAC1 (0.68) ENPP2HDAC1HDAC6HDAC8CDK5
SCHEMBL3453561 0.68 PARP10 (0.49) BRD4PLAUKMT2AALDH1A1RAB9A
SCHEMBL3454177 0.68 LCK (0.44) PLAU
SCHEMBL3454219 0.67 MEP1B (0.48) PLA2G10PLA2G2APLAUL3MBTL1
SCHEMBL3453592 0.67 PARP10 (0.46) KLKB1KLK1PLAUSLC6A9SLC6A5

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 1 patent. 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

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 ENPP2 457/4885HDAC1 5/4885HDAC6 31/4885

“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.