SCHEMBL3031945

SCHEMBL3031945

NC(=O)c1cccc(-c2ccc(C(=O)NO)cc2)c1-c1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 5/20 0.48
▸ HDAC1 Q13547 4/20 0.48
▸ CHEK2 O96017 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.45
▸ HTT P42858 1/20 0.44
▸ KDM1A O60341 2/20 0.44
▸ HPGDS O60760 1/20 0.42
▸ PDCD1 Q15116 1/20 0.41
▸ CD274 Q9NZQ7 1/20 0.41
▸ MAP4K4 O95819 1/20 0.41
▸ FYN P06241 1/20 0.40
▸ PARP1 P09874 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ BCAT2 O15382 1/20 0.40

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
SCHEMBL3034724 0.89 HDAC6 (0.48) HDAC6HDAC1HDAC8KDM1APDCD1
SCHEMBL3023831 0.85 HDAC6 (0.46) HDAC6HDAC1HDAC8PDCD1CD274
SCHEMBL3029944 0.79 HDAC6 (0.44) HDAC6HDAC1HDAC8KDM1AMAP4K4
SCHEMBL3029955 0.78 HDAC6 (0.43) HDAC6HDAC1HDAC8KDM1AMAP4K4
SCHEMBL27940776 0.78 PARP1 (0.53) CHEK2HPGDSMAP4K4PARP1BCAT2
SCHEMBL3028568 0.78 HDAC6 (0.50) HDAC6HDAC1CHEK2HDAC8PDCD1
SCHEMBL16193827 0.74 ESR2 (0.42) CHEK2MAP4K4PARP1BCAT2
SCHEMBL3035678 0.74 HDAC6 (0.45) HDAC6HDAC1HDAC8MAPTALDH1A1
SCHEMBL30370009 0.73 BCAT2 (0.57) HTTPDCD1CD274PARP1MAPT
SCHEMBL3037600 0.73 HDAC1 (0.47) HDAC6HDAC1HDAC8KDM1AMAPT

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 HDAC6 31/4885HDAC1 5/4885CHEK2 3551/4885

“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.

Send feedback