SCHEMBL1719599

SCHEMBL1719599

COc1c[c]cc([N+](N)=O)c1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 2/20 0.31
MAPT P10636 2/20 0.31
MAPK1 P28482 2/20 0.31
KMT2A Q03164 2/20 0.31
HTT P42858 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.30
G6PD P11413 1/20 0.30
PKM P14618 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL6834623 0.82 LMNA (0.50) LMNAALDH1A1MEN1MAPTMAPK1
SCHEMBL1720258 0.75 LTA4H (0.40) ALDH1A1MEN1MAPTKMT2AHTT
SCHEMBL1718985 0.74 MAPT (0.53) LMNAALDH1A1MEN1MAPTKMT2A
SCHEMBL63193 0.73 ALDH1A1 (0.59) ALDH1A1PTGS2
SCHEMBL6031667 0.73 CA1 (0.33) ALDH1A1MEN1MAPTKMT2A
SCHEMBL6029387 0.73 MAPT (0.42) LMNAALDH1A1MEN1MAPTKMT2A
SCHEMBL28007784 0.71 ALDH1A1 (0.56) ALDH1A1PTGS2
SCHEMBL28108949 0.71 ALDH1A1 (0.56) ALDH1A1PTGS2
SCHEMBL28321856 0.71 ALDH1A1 (0.56) ALDH1A1PTGS2
SCHEMBL28089288 0.71 ALDH1A1 (0.56) ALDH1A1PTGS2

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 LMNA 3875/4885ALDH1A1 2830/4885MEN1 4530/4885

“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.