SCHEMBL3033299

SCHEMBL3033299

CN1CCCC1CCNC(=O)c1cccc(-c2ccc(C(N)=O)cc2)c1O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 3/20 0.46
POLR1A O95602 1/20 0.45
CHRM3 P20309 10/20 0.44
TLR9 Q9NR96 1/20 0.44
TLR8 Q9NR97 1/20 0.44
TLR7 Q9NYK1 1/20 0.44
EED O75530 1/20 0.43
METAP2 P50579 1/20 0.42
BRAF P15056 1/20 0.42

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
SCHEMBL8162955 0.76 ACKR3 (0.63) ACKR3CHRM3TLR9TLR8TLR7
SCHEMBL3697438 0.76 TLR9 (0.47) ACKR3POLR1ATLR9TLR8TLR7
SCHEMBL13162038 0.75 ACKR3 (0.55) ACKR3POLR1AEEDMETAP2
SCHEMBL3034950 0.74 BRAF (0.55) ACKR3TLR9TLR8TLR7BRAF
SCHEMBL12156581 0.73 ACKR3 (0.51) ACKR3POLR1ATLR9TLR8TLR7
SCHEMBL3038374 0.73 TAS1R3 (0.57)
SCHEMBL13118285 0.73 ACKR3 (0.61) ACKR3POLR1ACHRM3METAP2
SCHEMBL3023737 0.72 POLB (0.55)
SCHEMBL3028619 0.72 KMT2A (0.57)
SCHEMBL6572449 0.72 HDAC8 (0.56) ACKR3POLR1ATLR9TLR8TLR7

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
US-20100216796-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS KATTAR SOLOMON 2010-08-26 US disclosed
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 disclosed
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 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 ACKR3 4471/4885POLR1A 3816/4885CHRM3 3402/4885

“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.