SCHEMBL562499

SCHEMBL562499

COc1ccc(Cc2nc(N)c([N+](=O)[O-])c(NCCCCS(C)(=O)=O)c2Cc2ccc(OC)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.40
NPSR1 Q6W5P4 4/20 0.40
ALDH1A1 P00352 2/20 0.39
CYP2D6 P10635 1/20 0.39
ATM Q13315 1/20 0.39
POLB P06746 3/20 0.39
KMT2A Q03164 4/20 0.38
RECQL P46063 2/20 0.38
BLM P54132 2/20 0.38
RAD52 P43351 1/20 0.38
PKM P14618 1/20 0.38
EGFR P00533 1/20 0.38
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 2/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGS2 P35354 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 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
SCHEMBL563829 0.87 ALDH1A1 (0.44) MAPTNPSR1ALDH1A1CYP2D6ATM
SCHEMBL562853 0.81 EGFR (0.46) MAPTNPSR1ALDH1A1KMT2ARECQL
SCHEMBL30547170 0.78 ATM (0.51) MAPTNPSR1ALDH1A1CYP2D6ATM
SCHEMBL29090412 0.78 ATM (0.51) MAPTNPSR1ALDH1A1CYP2D6ATM
SCHEMBL563260 0.71 TLR7 (0.42) MAPTALDH1A1MAPK1SMN1; SMN2PTGS2
SCHEMBL29072235 0.69 ATM (0.50) MAPTNPSR1ALDH1A1CYP2D6ATM
SCHEMBL28775287 0.68 NPSR1 (0.56) MAPTNPSR1ALDH1A1CYP2D6ATM
SCHEMBL25379641 0.66 MAPT (0.64) MAPTNPSR1ALDH1A1KMT2ARECQL
SCHEMBL30716714 0.65 ALDH1A1 (0.49) MAPTNPSR1ALDH1A1CYP2D6ATM
SCHEMBL3338230 0.65 SMN1; SMN2 (0.40) MAPTALDH1A1POLBKMT2ARECQL

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-20120035209-A1 Hydroxy Substituted 1H-Imidazopyridines and Methods PFIZER INC. (US) 2012-02-09 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-20120035209-A1 Hydroxy Substituted 1H-Imidazopyridines and Methods IL2, IL4, IL4I1 MAPT 4506/4885NPSR1 3304/4885ALDH1A1 623/4885

“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.