SCHEMBL1720261

SCHEMBL1720261

Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.71
KMT2A Q03164 8/20 0.71
MAPT P10636 6/20 0.71
ALDH1A1 P00352 5/20 0.69
LMNA P02545 2/20 0.60
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
NLRP3 Q96P20 1/20 0.54
HTT P42858 2/20 0.53
MAOB P27338 1/20 0.50
KDM4E B2RXH2 1/20 0.47
ALOX5 P09917 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAOA P21397 1/20 0.46
CHEK2 O96017 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL16705740 1.00 MEN1 (0.71) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL16705739 0.88 LMNA (0.65) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL6029392 0.84 MEN1 (0.68) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL4481437 0.84 MEN1 (0.68) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL6031670 0.84 MEN1 (0.68) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL4395184 0.83 MAPT (1.00) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL27280426 0.83 MAPT (0.64) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL1718990 0.83 MAPT (1.00) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL1486129 0.82 ALDH1A1 (1.00) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL4477206 0.82 ALDH1A1 (1.00) MEN1KMT2AMAPTALDH1A1LMNA

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
EP-1506196-B1 PYRAZOLOPYRIMIDINES AS SODIUM CHANNEL INHIBITORS ICAGEN INC (US) 2012-01-18 EP claimed
US-7098335-B2 Pyrazolopyrimidine compositions ICAGEN, INC. (US) 2006-08-29 US disclosed
US-20050215569-A1 Pyrazolopyrimidines ICAGEN, INC. (US) 2005-09-29 US disclosed
US-6833371-B2 Contacting cell with a sodium channel-inhibiting amount of a compound comprising a pyrazolopyrimidine moiety for decreasing ion flow through a voltage-dependent sodium channel in a cell ICAGEN, INC. 2004-12-21 US 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-20050215569-A1 Pyrazolopyrimidines SCN3A, TRPV3, P2RX3 MEN1 4530/4885KMT2A 3544/4885MAPT 3256/4885

“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.