SCHEMBL20061674

SCHEMBL20061674

CC(=O)CNc1ncc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.39
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
GAA P10253 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
MCL1 Q07820 1/20 0.34
PTK2B Q14289 1/20 0.34
KDM4E B2RXH2 1/20 0.34
JAK2 O60674 1/20 0.34
EGFR P00533 1/20 0.34

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
SCHEMBL20595629 0.89 MAPT (0.50) ALDH1A1GLAMAPTSMN1; SMN2TDP1
SCHEMBL16563517 0.88 LMNA (0.44) ALDH1A1GLAMAPTSMN1; SMN2TDP1
SCHEMBL16990326 0.87 MAPT (0.37) ALDH1A1GLAMAPTSMN1; SMN2TDP1
SCHEMBL3126308 0.84 GLA (0.57) ALDH1A1GLAMAPTSMN1; SMN2TDP1
SCHEMBL906449 0.84 MAPK1 (0.42) ALDH1A1GLAMAPTSMN1; SMN2TDP1
SCHEMBL18988769 0.84 PGK1 (0.48) ALDH1A1GLAMAPTSMN1; SMN2LMNA
SCHEMBL18172308 0.83 GLA (0.41) ALDH1A1GLAMAPTSMN1; SMN2TDP1
SCHEMBL22468486 0.82 MAPT (0.40) ALDH1A1GLAMAPTSMN1; SMN2TDP1
SCHEMBL422751 0.81 MAPT (0.43) ALDH1A1MAPTSMN1; SMN2TDP1LMNA
SCHEMBL18181298 0.81 GLA (0.46) ALDH1A1GLAMAPTSMN1; SMN2TDP1

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-20180105519-A1 ISOXAZOLYL SUBSTITUTED IMIDAZOPYRIDINES CELLCENTRIC LTD (GB) 2018-04-19 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-20180105519-A1 ISOXAZOLYL SUBSTITUTED IMIDAZOPYRIDINES EP300, HDAC3, HDAC1 ALDH1A1 886/4885GLA 2436/4885MAPT 4493/4885

“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.