SCHEMBL3017701

SCHEMBL3017701

O=C(NO)c1ccc2ccc(C(=O)NCCO)cc2c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.57
POLB P06746 1/20 0.57
HTT P42858 1/20 0.57
HDAC6 Q9UBN7 9/20 0.56
HDAC1 Q13547 7/20 0.56
HDAC2 Q92769 7/20 0.56
HDAC8 Q9BY41 7/20 0.56
HDAC3 O15379 6/20 0.56
HDAC4 P56524 6/20 0.56
HDAC7 Q8WUI4 6/20 0.56
HDAC10 Q969S8 6/20 0.56
HDAC11 Q96DB2 6/20 0.56
HDAC9 Q9UKV0 6/20 0.56
HDAC5 Q9UQL6 6/20 0.56
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MMP13 P45452 1/20 0.45

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
SCHEMBL3453839 0.85 HPGD (0.55) HPGDPOLBHTTHDAC6HDAC1
SCHEMBL1193527 0.85 HDAC1 (0.66) HPGDPOLBHTTHDAC6HDAC1
SCHEMBL8092512 0.81 HPGD (0.58) HPGDPOLBHTTHDAC6HDAC1
SCHEMBL3028150 0.78 NPC1 (0.60) HDAC6HDAC1HDAC2HDAC8HDAC3
SCHEMBL3038811 0.78 NPC1 (0.62) HDAC6HDAC1HDAC2HDAC8HDAC3
SCHEMBL620074 0.78 POLB (0.66) HPGDPOLBHTTHDAC6HDAC4
SCHEMBL3033837 0.78 KMT2A (0.61) HPGDHTTHDAC6HDAC1HDAC2
SCHEMBL5944189 0.77 HDAC8 (0.62) HPGDPOLBHTTHDAC6HDAC1
SCHEMBL3028442 0.76 HDAC1 (0.59) HDAC6HDAC1HDAC2HDAC8HDAC3
SCHEMBL3033469 0.76 HDAC6 (0.81) HPGDHDAC6HDAC1HDAC2HDAC8

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 HPGD 188/4885POLB 3269/4885HTT 27/4885

“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.