SCHEMBL18157342

SCHEMBL18157342

CC(=O)c1cn(-c2ccc(Br)cc2[N+](=O)[O-])c(C)n1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
KMT2A Q03164 2/20 0.38
RECQL P46063 1/20 0.38
GABRA2 P47869 3/20 0.37
GABRB2 P47870 3/20 0.37
HSP90AA1 P07900 1/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.36
SETDB1 Q15047 1/20 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
SCHEMBL16056938 0.90 LMNA (0.51) LMNAMAPTSMN1; SMN2MAPK1CYP1A2
SCHEMBL16056939 0.90 LMNA (0.51) LMNAMAPTSMN1; SMN2MAPK1CYP1A2
SCHEMBL16083238 0.87 GABRA2 (0.52) LMNAMAPTSMN1; SMN2MAPK1CYP1A2
SCHEMBL18157337 0.84 LMNA (0.52) LMNAMAPTSMN1; SMN2MAPK1CYP1A2
SCHEMBL18157353 0.80 LMNA (0.48) LMNAMAPTSMN1; SMN2MAPK1ALDH1A1
SCHEMBL16057651 0.80 LMNA (0.48) LMNAMAPTSMN1; SMN2MAPK1CYP1A2
SCHEMBL16057763 0.79 ALDH1A1 (0.48) LMNAMAPTSMN1; SMN2MAPK1ALDH1A1
SCHEMBL16056591 0.79 LMNA (0.47) LMNAMAPTSMN1; SMN2MAPK1CYP1A2
SCHEMBL16056218 0.78 DRD4 (0.39) LMNAMAPTSMN1; SMN2MAPK1ALDH1A1
SCHEMBL9454553 0.71 GABRA2 (0.61) MAPTSMN1; SMN2ALDH1A1KDM4EKMT2A

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-20160304499-A1 LXR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-20 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-20160304499-A1 LXR MODULATORS NR1H2, NR1H3, NR1H4 LMNA 961/4885MAPT 3581/4885SMN1; SMN2 4731/4885

“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.