SCHEMBL563593

SCHEMBL563593

CCCCCc1nc(NCc2ccc(OC)cc2)c([N+](=O)[O-])c(NCC2CCOCC2)c1Cc1ccc(OC)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.45
PRKCQ Q04759 3/20 0.44
NPC1 O15118 2/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 4/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.34
AVPR1B P47901 1/20 0.34
POLB P06746 2/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
PDE2A O00408 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
SCHEMBL563141 0.86 PRKCQ (0.38) EGFRPRKCQMAPTALDH1A1SMN1; SMN2
SCHEMBL563105 0.82 EGFR (0.54) EGFRNPC1GAAHTTMAPT
SCHEMBL563545 0.81 EGFR (0.51) EGFRNPC1GAAHTTMAPT
SCHEMBL563543 0.80 MAPT (0.48) EGFRNPC1GAAHTTMAPT
SCHEMBL562853 0.80 EGFR (0.46) EGFRNPC1GAAHTTMAPT
SCHEMBL563414 0.79 EGFR (0.53) EGFRNPC1GAAHTTMAPT
SCHEMBL563155 0.70 PDE4A (0.45) MAPTNPSR1ALDH1A1SMN1; SMN2PDE4A
SCHEMBL562257 0.69 MAPT (0.49) EGFRPRKCQNPC1GAAHTT
SCHEMBL562962 0.67 TLR7 (0.43) MAPTNPSR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL563260 0.67 TLR7 (0.42) MAPTALDH1A1SMN1; SMN2PDE4APDE4B

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-20120035209-A1 Hydroxy Substituted 1H-Imidazopyridines and Methods PFIZER INC. (US) 2012-02-09 US disclosed
US-20100152230-A1 HYDROXY SUBSTITUTED 1H-IMIDAZOPYRIDINES AND METHODS PFIZER INC. 2010-06-17 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 (2 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-20100152230-A1 HYDROXY SUBSTITUTED 1H-IMIDAZOPYRIDINES AND METHODS IL4, IL2, IL4I1 EGFR 3495/4885PRKCQ 3501/4885NPC1 3917/4885
US-20120035209-A1 Hydroxy Substituted 1H-Imidazopyridines and Methods IL2, IL4, IL4I1 EGFR 3412/4885PRKCQ 3453/4885NPC1 3808/4885

“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.