SCHEMBL4055166

SCHEMBL4055166

O=C(O)Oc1cc(CBr)ccc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CASP6 P55212 1/20 0.39
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 4/20 0.36
TTR P02766 1/20 0.36
KCNH2 Q12809 1/20 0.36
RECQL P46063 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
SCHEMBL4055163 1.00 POLB (0.39) POLBSMN1; SMN2SENP8SENP7SENP6
SCHEMBL4055160 0.89 SMN1; SMN2 (0.40) POLBSMN1; SMN2SENP8SENP7SENP6
SCHEMBL4046423 0.86 TTR (0.48) POLBSMN1; SMN2SENP8SENP7SENP6
SCHEMBL4046426 0.86 TTR (0.48) POLBSMN1; SMN2SENP8SENP7SENP6
SCHEMBL520427 0.80 ALDH1A1 (0.51) SMN1; SMN2TDP1L3MBTL1ALDH1A1KDM4E
SCHEMBL29788546 0.80 ALDH1A1 (0.51) SMN1; SMN2TDP1L3MBTL1ALDH1A1KDM4E
SCHEMBL3644796 0.78 CASP6 (0.43) POLBTDP1CASP6ALDH1A1KMT2A
SCHEMBL650225 0.77 POLB (0.47) POLBSENP8SENP7SENP6TDP1
SCHEMBL10653362 0.76 DTYMK (0.57) POLBTDP1CASP6ALDH1A1KMT2A
SCHEMBL10881030 0.76 TDP1 (0.53) TDP1L3MBTL1CASP6ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589097-B2 Triazol[4,5-d] pyramidine derivatives and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED (GB) 2009-09-15 US disclosed
EP-1392312-B1 TRIAZOLO 4,5-d PYRIMIDINE DERIVATIVES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RES LTD (GB) 2009-03-04 EP disclosed
US-20080234296-A1 Triazolo[4,5-d] pyramidine derivatives and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED 2008-09-25 US disclosed
US-7405219-B2 Triazolo [4,5-d] pyrimidine derivatives and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED (GB) 2008-07-29 US disclosed
US-20070049607-A1 Triazolo [4,5-d] pyrimidine derivatives and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED 2007-03-01 US disclosed
US-7141575-B2 Triazolo[4,5-d]pyrimidine derivatives and their use as purinergic receptor antagonists VERNALIS RESEARCH LTD. (GB) 2006-11-28 US disclosed
US-20040097526-A1 Triazolo[4,5-d]pyrimidine derivatives and their use as purinergic receptor antagonists VERNALIS DEVELOPMENT LIMITED (GB) 2004-05-20 US disclosed
EP-1392312-A1 TRIAZOLO 4,5-d] PYRIMIDINE DERIVATIVES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RESEARCH LIMITED (GB) 2004-03-03 EP disclosed
WO-2002055083-A1 TRIAZOLO[4,5-d] PYRIMIDINE DERIVATIVES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RESEARCH LIMITED (GB) 2002-07-18 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 (3 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-20080234296-A1 Triazolo[4,5-d] pyramidine derivatives and their use as purinergic receptor antagonists CHRNA5, ADORA2A, CHRNA4 POLB 4388/4885SMN1; SMN2 450/4885SENP8 4261/4885
US-20070049607-A1 Triazolo [4,5-d] pyrimidine derivatives and their use as purinergic receptor antagonists CHRNA5, ADORA2A, CHRNA4 POLB 3932/4885SMN1; SMN2 529/4885SENP8 3780/4885
US-20040097526-A1 Triazolo[4,5-d]pyrimidine derivatives and their use as purinergic receptor antagonists CHRNA5, CHRNA4, CNR1 POLB 3155/4885SMN1; SMN2 402/4885SENP8 4275/4885

“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.