SCHEMBL1720259

SCHEMBL1720259

NC(=O)c1cc(Oc2ccccc2)cc([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.60
CYP3A4 P08684 1/20 0.60
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
ALOX5 P09917 2/20 0.56
KDM4E B2RXH2 1/20 0.56
PARP10 Q53GL7 2/20 0.54
TSHR P16473 2/20 0.54
FFAR1 O14842 2/20 0.51
MAPT P10636 5/20 0.49
HTT P42858 3/20 0.49
TNKS O95271 1/20 0.49
PARP15 Q460N3 1/20 0.49
PARP14 Q460N5 1/20 0.49
TNKS2 Q9H2K2 1/20 0.49
PARP2 Q9UGN5 1/20 0.49
ALDH1A1 P00352 2/20 0.48
LMNA P02545 3/20 0.48
F2 P00734 1/20 0.48
PRSS1 P07477 1/20 0.48

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
SCHEMBL4481435 0.86 HSPB1 (0.58) SMN1; SMN2CYP3A4MEN1KMT2AKDM4E
SCHEMBL6031668 0.86 SMN1; SMN2 (0.57) SMN1; SMN2CYP3A4MEN1KMT2AKDM4E
SCHEMBL6029390 0.86 SMN1; SMN2 (0.57) SMN1; SMN2CYP3A4MEN1KMT2AALOX5
SCHEMBL1718988 0.85 MAPT (0.68) SMN1; SMN2CYP3A4MEN1KMT2AALOX5
SCHEMBL4477204 0.84 LMNA (0.73) SMN1; SMN2CYP3A4MEN1KMT2ATSHR
Diphenylether SCHEMBL6859636 0.83 TSHR (0.71) SMN1; SMN2MEN1KMT2AKDM4EPARP10
SCHEMBL1718819 0.82 PARP10 (0.71) SMN1; SMN2CYP3A4MEN1KMT2APARP10
SCHEMBL16705739 0.82 LMNA (0.65) SMN1; SMN2MEN1KMT2AALOX5KDM4E
SCHEMBL15054453 0.81 TSHR (0.73) MEN1KMT2AKDM4EPARP10TSHR
SCHEMBL177829 0.79 KDM4E (0.76) MEN1KMT2AKDM4EPARP10TSHR

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 SMN1; SMN2 697/4885CYP3A4 2543/4885MEN1 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.