SCHEMBL3787500

SCHEMBL3787500

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 1/20 0.59
TXNRD1 Q16881 3/20 0.46
DCTPP1 Q9H773 2/20 0.44
NPC1 O15118 1/20 0.42
LMNA P02545 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.40
POLB P06746 1/20 0.40
IDO1 P14902 1/20 0.40
HPGD P15428 2/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 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
SCHEMBL14546838 0.87 MERTK (0.46) MERTKTXNRD1LMNAALDH1A1MAPT
SCHEMBL30558103 0.84 PIN1 (0.49) MERTKTXNRD1DCTPP1NPC1LMNA
SCHEMBL30262944 0.82 TXNRD1 (0.56) TXNRD1ALDH1A1MAPTMAPK1HTT
SCHEMBL2474647 0.82 TXNRD1 (0.56) TXNRD1ALDH1A1MAPTMAPK1HTT
SCHEMBL4766444 0.78 DCTPP1 (0.43) MERTKDCTPP1NPC1ALDH1A1MAPT
SCHEMBL13019641 0.78 NPC1 (0.40) MERTKTXNRD1DCTPP1NPC1LMNA
SCHEMBL24460961 0.77 TUBB4A (0.44) LMNAALDH1A1MAPTTUBB4ATUBB
SCHEMBL29666617 0.77 TUBB4A (0.44) LMNAALDH1A1MAPTTUBB4ATUBB
SCHEMBL18398215 0.76 DCTPP1 (0.42) MERTKDCTPP1NPC1LMNAALDH1A1
SCHEMBL954711 0.76 TXNRD1 (0.48) MERTKTXNRD1ALDH1A1MAPTPOLB

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 6 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
EP-1931666-A1 IMIDAZOPYRIDINE DERIVATIVES AS A2B ADENOSINE RECEPTOR ANTAGONISTS Laboratorios Almirall, S.A. (ES) 2008-06-18 EP 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 MERTK 3320/4885TXNRD1 423/4885DCTPP1 372/4885

“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.