SCHEMBL3034483

SCHEMBL3034483

C[C@@H](NC(=O)c1ccc2ccc(C(=O)NO)cc2c1)c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.56
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
UTS2R Q9UKP6 1/20 0.50
HDAC6 Q9UBN7 4/20 0.49
HDAC3 O15379 2/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC2 Q92769 2/20 0.49
TAS1R3 Q7RTX0 2/20 0.49
TAS1R1 Q7RTX1 2/20 0.49
B3GNT2 Q9NY97 2/20 0.48
ALDH1A1 P00352 2/20 0.48
PHGDH O43175 1/20 0.47
PRSS12 P56730 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL3024346 0.96 HDAC8 (0.57) HDAC8CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL2408988 0.89 HDAC8 (0.56) HDAC8CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL2405077 0.85 MMP9 (0.58) HDAC8CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL3031481 0.85 CYP1A2 (0.58) HDAC8CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL3037611 0.83 ALDH1A1 (0.62) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL3037590 0.82 NPC1 (0.61) MEN1KMT2AALDH1A1
SCHEMBL3036088 0.82 ALDH1A1 (0.64) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL5646644 0.76 GPR139 (0.53) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL3028810 0.76 HDAC8 (0.67) HDAC8MEN1KMT2AHDAC6HDAC1
SCHEMBL2408440 0.75 TAS1R3 (0.56) HDAC8CYP1A2CYP2C9CYP2C19MEN1

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-20100216796-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS KATTAR SOLOMON 2010-08-26 US 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 HDAC8 7/4885CYP1A2 1225/4885CYP2C9 2311/4885

“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.