SCHEMBL1065476

SCHEMBL1065476

NC(=O)CCCCC(C(N)=O)c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 2/20 0.39
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 1/20 0.37
CYP3A4 P08684 3/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 3/20 0.36
TSHR P16473 3/20 0.36
LMNA P02545 2/20 0.36
RAB9A P51151 1/20 0.36
GSK3B P49841 1/20 0.36
HDAC3 O15379 3/20 0.35
HDAC4 P56524 3/20 0.35
HDAC1 Q13547 3/20 0.35
HDAC7 Q8WUI4 3/20 0.35
HDAC2 Q92769 3/20 0.35
HDAC10 Q969S8 3/20 0.35

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
SCHEMBL1064976 0.98 CYP2C19 (0.43) CYP2C19CYP1A2ALDH1A1NPSR1CYP3A4
SCHEMBL4938951 0.87 CYP2C19 (0.46) CYP2C19CYP1A2ALDH1A1CYP3A4MEN1
SCHEMBL18248622 0.85 CYP2C19 (0.45) CYP2C19CYP1A2ALDH1A1CYP3A4MEN1
SCHEMBL18248588 0.85 CYP2C19 (0.45) CYP2C19CYP1A2ALDH1A1CYP3A4MEN1
SCHEMBL22610224 0.85 CYP2C19 (0.47) CYP2C19CYP1A2ALDH1A1CYP3A4MEN1
SCHEMBL27751215 0.81 CYP2C19 (0.49) CYP2C19CYP1A2ALDH1A1NPSR1CYP3A4
SCHEMBL31295913 0.81 CYP2C19 (0.49) CYP2C19CYP1A2ALDH1A1NPSR1CYP3A4
SCHEMBL11877321 0.81 CYP2C19 (0.44) CYP2C19CYP1A2ALDH1A1NPSR1CYP3A4
SCHEMBL18248639 0.79 FAAH (0.47) CYP2C19CYP1A2CYP3A4MEN1KMT2A
SCHEMBL18248490 0.79 FAAH (0.47) CYP2C19CYP1A2CYP3A4MEN1KMT2A

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
EP-3006424-A1 HISTONE DEACETYLASE INHIBITORS AS THERAPEUTICS FOR NEUROLOGICAL DISEASES The Scripps Research Institute (US) 2016-04-13 EP disclosed
EP-1951656-B1 HISTONE DEACETYLASE INHIBITORS AS THERAPEUTICS FOR NEUROLOGICAL DISEASES SCRIPPS RESEARCH INST (US) 2015-08-05 EP disclosed
US-20110021562-A1 TREATMENT OF FRIEDREICH'S ATAXIA USING HISTONE DEACETYLASE INHIBITORS THE SCRIPPS RESEARCH INSTUTE (US) 2011-01-27 US disclosed
WO-2010028193-A1 COMPOUNDS INCLUDING PIMELIC ACID DERIVATIVES AS HDAC INHIBITORS REPLIGEN CORPORATION (US) 2010-03-11 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-20110021562-A1 TREATMENT OF FRIEDREICH'S ATAXIA USING HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC4, HDAC6 CYP2C19 4586/4885CYP1A2 4671/4885ALDH1A1 1029/4885

“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.