SCHEMBL1718985

SCHEMBL1718985

Cc1cccc(Oc2c[c]cc([N+](N)=O)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 4/20 0.47
HTT P42858 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 2/20 0.40
AR P10275 3/20 0.40
LYN P07948 1/20 0.40
ACHE P22303 2/20 0.40
ALOX5 P09917 1/20 0.38
POLB P06746 1/20 0.38
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
GRIA2 P42262 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL1720258 0.84 LTA4H (0.40) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL4477201 0.77 LMNA (0.56) MAPTALDH1A1HTTTDP1SMN1; SMN2
SCHEMBL6031667 0.76 CA1 (0.33) MAPTMEN1KMT2AALDH1A1
SCHEMBL4481847 0.76 HSPB1 (0.47) MAPTMEN1KMT2AALDH1A1
SCHEMBL6029387 0.76 MAPT (0.42) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL1719599 0.74 LMNA (0.34) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL30098452 0.73 MAPT (0.73) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL7997068 0.73 MAPT (0.73) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL29746015 0.73 ALDH1A1 (0.72) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL456868 0.73 ALDH1A1 (0.72) MAPTMEN1KMT2AALDH1A1HTT

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 MAPT 3256/4885MEN1 4530/4885KMT2A 3544/4885

“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.