SCHEMBL1720258

SCHEMBL1720258

N[N+](=O)c1c[c]cc(Oc2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.40
TSHR P16473 1/20 0.40
MAOB P27338 1/20 0.38
MAOA P21397 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GSTP1 P09211 1/20 0.36
SOS1 Q07889 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
PARP10 Q53GL7 1/20 0.36
TLR4 O00206 3/20 0.36
TLR2 O60603 3/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
NLRP3 Q96P20 1/20 0.35
AKR1C3 P42330 1/20 0.35

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
SCHEMBL4282427 0.85 KDM4E (0.48) LTA4HTSHRALDH1A1TLR4TLR2
SCHEMBL6031667 0.84 CA1 (0.33) LTA4HALDH1A1CA1CA2CA9
SCHEMBL4481847 0.84 HSPB1 (0.47) ALDH1A1SOS1MEN1KMT2AMAPT
SCHEMBL6029387 0.84 MAPT (0.42) LTA4HTSHRMAOBMAOAALDH1A1
SCHEMBL4477201 0.82 LMNA (0.56) LTA4HALDH1A1MAPTRAB9AHTT
SCHEMBL1451040 0.78 LTA4H (0.60) LTA4HTSHRMAOBMAOAALDH1A1
SCHEMBL1719599 0.75 LMNA (0.34) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL2180409 0.71 LTA4H (0.50) LTA4HTSHRMAOBMAOAGSTP1
SCHEMBL9638221 0.69 LTA4H (0.48) LTA4HTSHRMAOBMAOAGSTP1
SCHEMBL9685550 0.69 LTA4H (0.48) LTA4HTSHRMAOBMAOAGSTP1

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 LTA4H 1012/4885TSHR 4590/4885MAOB 2407/4885

“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.