SCHEMBL5066852

SCHEMBL5066852

COc1ccc(C(=O)Nc2cc(-c3cnnn3I)ccc2[N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
MAPT P10636 10/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 1/20 0.47
ABCB1 P08183 4/20 0.47
ABCC1 P33527 1/20 0.46
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 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
SCHEMBL5064094 0.84 HDAC2 (0.59) LMNAMAPTALDH1A1KDM4EHPGD
SCHEMBL1067097 0.78 MAPT (0.49) LMNAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1066697 0.78 ABCB1 (0.60) LMNAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4581161 0.76 ABCB1 (0.57) LMNAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8293254 0.74 MAPT (0.59) LMNAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1067526 0.74 MAPT (0.49) LMNAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4579515 0.74 ABCB1 (0.55) LMNAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4580292 0.74 MAPT (0.48) LMNAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4580126 0.72 MAPT (0.48) LMNAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1068485 0.72 ADORA3 (0.59) LMNAMAPTNPC1RAB9ASMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132459-A1 Inhibitors of Histone Deacetylase METHYLGENE, INC. (CA) 2008-06-05 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-20080132459-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 LMNA 1922/4885MAPT 2110/4885NPC1 1197/4885

“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.