SCHEMBL562914

SCHEMBL562914

CCCCCc1cc(NCc2cccnc2)c([N+](=O)[O-])c(Cl)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 1/20 0.48
CDK5R1 Q15078 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PKM P14618 2/20 0.46
RAD52 P43351 1/20 0.46
MAPT P10636 4/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
TRPV1 Q8NER1 1/20 0.45
HTR6 P50406 1/20 0.43
POLB P06746 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 1/20 0.42

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 0.89 PLK1 (0.44) SMN1; SMN2L3MBTL1MAPTALDH1A1GAA
SCHEMBL563625 0.81 CCNC (0.44) PKMMAPTALDH1A1GAAHTR6
SCHEMBL562959 0.75 CNR1 (0.32) MAPTALDH1A1LMNA
SCHEMBL4769070 0.73 SMN1; SMN2 (0.39) CDK5CDK5R1SMN1; SMN2MAPTHTR6
SCHEMBL3340185 0.72 MAPT (0.38) SMN1; SMN2L3MBTL1PKMMAPTPOLB
SCHEMBL563066 0.72 CRHBP (0.44) SMN1; SMN2MAPTALDH1A1GAAHTR6
SCHEMBL562804 0.71 ALDH1A1 (0.41) ALDH1A1
SCHEMBL18207541 0.71 TLR7 (0.52) CDK5CDK5R1SMN1; SMN2MAPTALDH1A1
SCHEMBL563557 0.71 PTGER4 (0.39)
SCHEMBL212491 0.70 KMT2A (0.59) L3MBTL1PKMRAD52MAPTALDH1A1

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 CDK5 637/4885CDK5R1 606/4885SMN1; SMN2 2868/4885
US-20120035209-A1 Hydroxy Substituted 1H-Imidazopyridines and Methods IL2, IL4, IL4I1 CDK5 661/4885CDK5R1 628/4885SMN1; SMN2 2925/4885

“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.