SCHEMBL563066

SCHEMBL563066

CCCCCc1cc(N[C@@H](C)c2ccccc2)c([N+](=O)[O-])c(Cl)n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
TP53 P04637 1/20 0.43
ALDH1A1 P00352 5/20 0.42
HTT P42858 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 5/20 0.39
NPSR1 Q6W5P4 2/20 0.39
POLB P06746 4/20 0.39
MAPK1 P28482 1/20 0.38
HTR6 P50406 1/20 0.38
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL562979 0.81 PLK1 (0.44) CRHBPCRHR2ALDH1A1HTTGAA
SCHEMBL563625 0.80 CCNC (0.44) TP53ALDH1A1HTTGAAMAPT
SCHEMBL562804 0.74 ALDH1A1 (0.41) ALDH1A1
SCHEMBL562959 0.73 CNR1 (0.32) ALDH1A1MAPT
SCHEMBL563626 0.72 CYP19A1 (0.35) ALDH1A1HTTGAAMAPT
SCHEMBL562914 0.72 CDK5 (0.48) TP53ALDH1A1GAAMAPTPOLB
SCHEMBL3340185 0.70 MAPT (0.38) MAPTPOLBMAPK1SMN1; SMN2
SCHEMBL4564941 0.69 MAPT (0.45) CRHBPCRHR2ALDH1A1HTTGAA
SCHEMBL212396 0.69 MAPT (0.45) CRHBPCRHR2ALDH1A1HTTGAA
SCHEMBL214937 0.69 MAPT (0.45) CRHBPCRHR2ALDH1A1HTTGAA

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 CRHBP 657/4885CRHR2 944/4885TP53 221/4885
US-20120035209-A1 Hydroxy Substituted 1H-Imidazopyridines and Methods IL2, IL4, IL4I1 CRHBP 708/4885CRHR2 1092/4885TP53 196/4885

“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.