SCHEMBL3034950

SCHEMBL3034950

CN1CCCC1CCNC(=O)c1ccc(-c2ccc(C(=O)NO)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.55
HDAC8 Q9BY41 3/20 0.52
HDAC6 Q9UBN7 3/20 0.52
HDAC2 Q92769 1/20 0.52
ACKR3 P25106 3/20 0.52
TLR9 Q9NR96 1/20 0.50
TLR8 Q9NR97 1/20 0.50
TLR7 Q9NYK1 1/20 0.50
HRH3 Q9Y5N1 1/20 0.47
HDAC1 Q13547 1/20 0.47
EGLN1 Q9GZT9 2/20 0.47
FPR3 P25089 1/20 0.45
FPR2 P25090 1/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNA7 P36544 1/20 0.45
CHRNA4 P43681 1/20 0.45
CHRM4 P08173 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44

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
SCHEMBL6572449 0.96 HDAC8 (0.56) BRAFHDAC8HDAC6HDAC2ACKR3
SCHEMBL8162955 0.90 ACKR3 (0.63) BRAFACKR3TLR9TLR8TLR7
SCHEMBL3029725 0.87 ACKR3 (0.49) BRAFHDAC8HDAC6HDAC2ACKR3
SCHEMBL10196660 0.86 ACKR3 (0.64) BRAFACKR3TLR9TLR8TLR7
SCHEMBL12156581 0.85 ACKR3 (0.51) BRAFACKR3TLR9TLR8TLR7
SCHEMBL13118285 0.84 ACKR3 (0.61) ACKR3CHRNB2CHRNA7CHRNA4
SCHEMBL15317690 0.84 MAPK1 (0.59) BRAFACKR3TLR9TLR8TLR7
SCHEMBL12093452 0.82 NPSR1 (0.61) BRAFACKR3
SCHEMBL3043651 0.82 ACKR3 (0.51) BRAFACKR3TLR9TLR8TLR7
SCHEMBL3642169 0.80 ACKR3 (0.54) BRAFACKR3EGLN1CHRNB2CHRNA7

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 4 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
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 claimed
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 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 BRAF 2668/4885HDAC8 7/4885HDAC6 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.