SCHEMBL562979

SCHEMBL562979

CCCCCc1cc(NCc2ccccc2)c([N+](=O)[O-])c(Cl)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 2/20 0.44
MAPT P10636 6/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CRHBP P24387 1/20 0.44
CYP2C19 P33261 1/20 0.44
CRHR2 Q13324 1/20 0.44
LMNA P02545 3/20 0.42
HTT P42858 3/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
TLR7 Q9NYK1 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL563625 0.90 CCNC (0.44) MAPTMEN1KMT2ACYP1A2CYP2C9
SCHEMBL562914 0.89 CDK5 (0.48) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2571520 0.81 MAPT (0.52) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL16486521 0.81 MAPT (0.49) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL563066 0.81 CRHBP (0.44) MAPTCRHBPCRHR2HTTPOLB
SCHEMBL3339765 0.79 EGFR (0.46) PLK1MAPTMEN1KMT2ACRHBP
SCHEMBL562959 0.79 CNR1 (0.32) PLK1MAPTMEN1KMT2ALMNA
SCHEMBL2566995 0.77 MAPT (0.44) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL563626 0.76 CYP19A1 (0.35) MAPTMEN1KMT2ALMNAHTT
SCHEMBL3340185 0.76 MAPT (0.38) MAPTLMNAPOLBSMN1; SMN2L3MBTL1

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 3 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
CN-101253173-A Hydroxy substituted 1H-imidazopyridines and methods PFIZER (US) 2008-08-27 CN 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 PLK1 4073/4885MAPT 4506/4885MEN1 3944/4885
US-20120035209-A1 Hydroxy Substituted 1H-Imidazopyridines and Methods IL2, IL4, IL4I1 PLK1 4123/4885MAPT 4506/4885MEN1 3860/4885

“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.