SCHEMBL5656200

SCHEMBL5656200

O=[N+]([O-])c1cncc([N+](=O)[O-])c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 9/20 0.56
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
TTR P02766 1/20 0.43
CYP1A2 P05177 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
RECQL P46063 1/20 0.43
PMP22 Q01453 1/20 0.43

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
SCHEMBL690072 0.85 GPR35 (0.42) GPR35CA12CA1CA2CA9
SCHEMBL30774912 0.85 GPR35 (0.42) GPR35CA12CA1CA2CA9
SCHEMBL4359807 0.85 GPR35 (0.52) GPR35ALDH1A1MAPK1KDM4EMEN1
SCHEMBL8159027 0.85 GPR35 (0.52) GPR35ALDH1A1MAPK1KDM4EMEN1
SCHEMBL29951602 0.82 ERN1 (0.56) ERN1
SCHEMBL25631216 0.82 ERN1 (0.56) ERN1
SCHEMBL2485439 0.82 DTYMK (0.45) GPR35CRHBPCRHR2CA1CA2
SCHEMBL8155992 0.76 MAPT (0.45) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL12261133 0.76 KMT2A (0.47) GPR35ALDH1A1MEN1HPGDKMT2A
SCHEMBL26985016 0.76 GPR35 (0.44) GPR35ALDH1A1MAPK1KDM4EMEN1

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-7176214-B2 Imidazo-fused oxazolo[4,5-β]pyridine and imidazo-fused thiazolo[4,5-β]pyridine based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-13 US disclosed
US-20060217412-A1 Imidazo-fused oxazolo[4,5-b]pyridine and imidazo-fused thiazolo[4,5-b]pyridine based tricyclic compounds and pharmaceutical compositions comprising same PITTS WILLIAM J 2006-09-28 US disclosed
US-20050101626-A1 Imidazo-fused oxazolo[4,5-beta]pyridine and imidazo-fused thiazolo[4,5-beta]pyridine based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY 2005-05-12 US disclosed
WO-2004106293-A2 OXAZOLYL - AND THIAZOLYL - PURINE BASED TRICYCLIC COMPOUNDS. BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-09 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 (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-20050101626-A1 Imidazo-fused oxazolo[4,5-beta]pyridine and imidazo-fused thiazolo[4,5-beta]pyridine based tricyclic compounds and pharmaceutical compositions comprising same TPMT, IRAK4, P2RX7 GPR35 437/4885CRHBP 3838/4885CRHR2 2410/4885
US-20060217412-A1 Imidazo-fused oxazolo[4,5-b]pyridine and imidazo-fused thiazolo[4,5-b]pyridine based tricyclic compounds and pharmaceutical compositions comprising same TPMT, IRAK4, P2RX7 GPR35 471/4885CRHBP 3225/4885CRHR2 2307/4885

“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.