SCHEMBL13019642

SCHEMBL13019642

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
POLB P06746 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.39
NPC1 O15118 3/20 0.37
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
TXNRD1 Q16881 1/20 0.35
NR1D1 P20393 1/20 0.35
NR1H3 Q13133 1/20 0.35
RAB9A P51151 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
IDO1 P14902 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HPGD P15428 1/20 0.33
SLC2A1 P11166 1/20 0.33
DCTPP1 Q9H773 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL13019641 0.82 NPC1 (0.40) MAPTPOLBNPC1MAPK8MAPK9
SCHEMBL13019644 0.82 NR1D1 (0.36) MAPTPOLBGPBAR1NPC1MAPK8
SCHEMBL30316885 0.75 POLB (0.42) MAPTPOLBNPC1TXNRD1RAB9A
SCHEMBL14547054 0.75 MAPK8 (0.39) MAPTGPBAR1MAPK8MAPK9MAPK10
SCHEMBL3787500 0.70 MERTK (0.59) MAPTPOLBNPC1TXNRD1LMNA
SCHEMBL3791247 0.70 ALDH1A1 (0.36) ALDH1A1
SCHEMBL30558103 0.70 PIN1 (0.49) NPC1TXNRD1RAB9AKMT2ALMNA
SCHEMBL30316856 0.70 MAPT (0.40) MAPTPOLBNPC1TXNRD1KMT2A
SCHEMBL4823648 0.68 NPC1 (0.44) MAPTNPC1RAB9AKMT2ALMNA
SCHEMBL28057928 0.68 ALDH1A1 (0.50) MAPTPOLBNPC1RAB9AKMT2A

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-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
WO-2007039297-A1 IMIDAZOPYRIDINE DERIVATIVES AS A2B ADENOSINE RECEPTOR ANTAGONISTS LABORATORIOS ALMIRALL, S.A. (ES) 2007-04-12 WO 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 MAPT 4625/4885POLB 1089/4885GPBAR1 137/4885

“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.