SCHEMBL13019641

SCHEMBL13019641

COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(-c3ncco3)ccc2[N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.40
TXNRD1 Q16881 1/20 0.39
MAPT P10636 3/20 0.39
POLB P06746 2/20 0.39
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
MAPK10 P53779 1/20 0.37
LMNA P02545 5/20 0.37
KMT2A Q03164 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NR1D1 P20393 1/20 0.37
NR1H3 Q13133 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CHRM2 P08172 1/20 0.36
CYP3A4 P08684 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36

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
SCHEMBL14547054 0.90 MAPK8 (0.39) MAPTMAPK8MAPK9MAPK10LMNA
SCHEMBL13019642 0.82 MAPT (0.40) NPC1TXNRD1MAPTPOLBMAPK8
SCHEMBL3787500 0.78 MERTK (0.59) NPC1TXNRD1MAPTPOLBLMNA
SCHEMBL13019644 0.76 NR1D1 (0.36) NPC1TXNRD1MAPTPOLBMAPK8
SCHEMBL3789471 0.75 MERTK (0.39) TXNRD1LMNAALDH1A1KCNH2MERTK
SCHEMBL30558103 0.73 PIN1 (0.49) NPC1TXNRD1LMNAKMT2ARAB9A
SCHEMBL4823648 0.70 NPC1 (0.44) NPC1MAPTLMNAKMT2ARAB9A
SCHEMBL18118211 0.69 TAS2R14 (0.49) LMNASMN1; SMN2ALDH1A1TSHR
SCHEMBL31146874 0.69 LMNA (0.42) NPC1MAPTLMNAKMT2ARAB9A
SCHEMBL3788892 0.69 CLK1 (0.36) MAPTKMT2AALDH1A1MEN1TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7855202-B2 Imidazopyridine derivatives as A2B adenosine receptor antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2010-12-21 US disclosed
US-7855202-B2 Imidazopyridine derivatives as A2B adenosine receptor antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2010-12-21 US disclosed
US-20080275038-A1 Imidazopyridine Derivatives as A2b Adenosine Receptor Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2008-11-06 US disclosed
US-20080275038-A1 Imidazopyridine Derivatives as A2b Adenosine Receptor Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2008-11-06 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-20080275038-A1 Imidazopyridine Derivatives as A2b Adenosine Receptor Antagonists ADORA2B, ADORA2A, ADORA1 NPC1 1310/4885TXNRD1 423/4885MAPT 4625/4885

“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.