SCHEMBL4055160

SCHEMBL4055160

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 3/20 0.38
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
RECQL P46063 1/20 0.37
CASP6 P55212 1/20 0.37
TTR P02766 1/20 0.36
ALDH1A1 P00352 6/20 0.36
MAPT P10636 4/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP3A4 P08684 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
SCHEMBL4055166 0.89 POLB (0.39) SMN1; SMN2POLBSENP8SENP7SENP6
SCHEMBL4055163 0.89 POLB (0.39) SMN1; SMN2POLBSENP8SENP7SENP6
SCHEMBL4046420 0.86 TTR (0.49) SMN1; SMN2POLBSENP8SENP7SENP6
SCHEMBL11228541 0.82 ALOX5 (0.45) SMN1; SMN2TTRALDH1A1MAPTHTT
SCHEMBL29788546 0.81 ALDH1A1 (0.51) SMN1; SMN2TDP1L3MBTL1TTRALDH1A1
SCHEMBL520427 0.81 ALDH1A1 (0.51) SMN1; SMN2TDP1L3MBTL1TTRALDH1A1
SCHEMBL3584921 0.76 MAPT (0.50) SMN1; SMN2RAB9ANPC1RECQLALDH1A1
SCHEMBL1117240 0.76 TSHR (0.50) SMN1; SMN2POLBTDP1CASP6ALDH1A1
SCHEMBL4046423 0.75 TTR (0.48) SMN1; SMN2POLBSENP8SENP7SENP6
SCHEMBL4046426 0.75 TTR (0.48) SMN1; SMN2POLBSENP8SENP7SENP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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-20040097526-A1 Triazolo[4,5-d]pyrimidine derivatives and their use as purinergic receptor antagonists CHRNA5, CHRNA4, CNR1 SMN1; SMN2 402/4885POLB 3155/4885SENP8 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.