SCHEMBL6029387

SCHEMBL6029387

N[N+](=O)c1c[c]cc(Oc2ccc(Br)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
LTA4H P09960 1/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
CA1 P00915 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP14 P50281 1/20 0.32
CA14 Q9ULX7 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MCL1 Q07820 1/20 0.31
SRD5A2 P31213 1/20 0.31
LMNA P02545 2/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL6031667 0.84 CA1 (0.33) MAPTLTA4HCA2CA9CA1
SCHEMBL4481847 0.84 HSPB1 (0.47) MAPTALDH1A1MEN1KMT2AHSPB1
SCHEMBL1720258 0.84 LTA4H (0.40) MAPTMAOAMAOBLTA4HCA2
SCHEMBL4477201 0.74 LMNA (0.56) MAPTLTA4HALDH1A1LMNASMN1; SMN2
SCHEMBL1719599 0.73 LMNA (0.34) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL9987740 0.70 HSPB1 (0.67) MAPTALDH1A1MEN1KMT2ASRD5A2
SCHEMBL4282427 0.69 KDM4E (0.48) MAPTLTA4HALDH1A1MEN1KMT2A
Water SCHEMBL28083858 0.66 MAPT (0.67) MAPTMAOAMAOBLTA4HCA2
SCHEMBL3843978 0.66 MAPT (0.74) MAPTMAOAMAOBLTA4HCA2
SCHEMBL3842527 0.66 MAPT (0.74) MAPTMAOAMAOBLTA4HCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3256/4885MAOA 2937/4885MAOB 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.