SCHEMBL3630368

SCHEMBL3630368

CCC(NCc1ccc(C=CC(=O)Nc2ccccc2[N+](=O)[O-])cc1)c1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.54
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
MAPT P10636 5/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
MAPK1 P28482 2/20 0.47
TRPV1 Q8NER1 1/20 0.47
LMNA P02545 2/20 0.46
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
POLB P06746 1/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL1062904 0.86 HDAC1 (0.59) HDAC1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL2734354 0.86 HDAC1 (0.59) HDAC1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL1062902 0.86 HDAC1 (0.59) HDAC1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL8352293 0.81 HDAC1 (0.54) HDAC1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL1060488 0.81 HDAC1 (0.60) HDAC1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL1060486 0.81 HDAC1 (0.60) HDAC1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL3630366 0.80 HDAC1 (0.51) HDAC1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL8349177 0.73 HDAC1 (0.55) HDAC1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL20538177 0.72 ALDH1A1 (0.61) HDAC1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL20538174 0.72 ALDH1A1 (0.61) HDAC1RAB9ASMN1; SMN2NPC1MAPT

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-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US disclosed
US-20060058298-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2006-03-16 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-20060058298-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885RAB9A 2909/4885SMN1; SMN2 3671/4885

“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.