SCHEMBL3038374

SCHEMBL3038374

CC1CCC(NC(=O)c2cccc(-c3ccc(C(N)=O)cc3)c2O)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.57
TAS1R1 Q7RTX1 2/20 0.57
TAS1R2 Q8TE23 2/20 0.57
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
GAA P10253 1/20 0.45
BMPR1B O00238 1/20 0.45
BMPR1A P36894 1/20 0.45
TGFBR1 P36897 1/20 0.45
ACVRL1 P37023 1/20 0.45
ACVR1 Q04771 1/20 0.45
CNR2 P34972 6/20 0.45
MAPK14 Q16539 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PLAU P00749 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
SCHEMBL3453931 0.75 HNF4A (0.53) ALDH1A1PLAUPLATCREBBP
SCHEMBL3033299 0.73 ACKR3 (0.46)
SCHEMBL3023737 0.73 POLB (0.55) GAAMAPK14KMT2ASMN1; SMN2NPSR1
SCHEMBL703615 0.73 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2NPC1RAB9A
SCHEMBL7181153 0.72 TAS1R3 (0.63) TAS1R3TAS1R1TAS1R2NPC1RAB9A
SCHEMBL517808 0.72 NPC1 (0.72) TAS1R3TAS1R1TAS1R2NPC1RAB9A
SCHEMBL30108276 0.71 CNR1 (0.49) NPC1RAB9ABMPR1BBMPR1ATGFBR1
SCHEMBL28224390 0.71 CNR1 (0.49) NPC1RAB9ABMPR1BBMPR1ATGFBR1
SCHEMBL3028619 0.71 KMT2A (0.57) NPC1RAB9AGAAMEN1KMT2A
SCHEMBL13146376 0.70 MAPK14 (0.79) MAPK14

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 TAS1R3 3773/4885TAS1R1 3916/4885TAS1R2 3853/4885

“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.