SCHEMBL4636875

SCHEMBL4636875

O=C(O)c1ccccc1Sc1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 11/20 0.66
PDE7B Q9NP56 5/20 0.66
POLB P06746 2/20 0.62
BCL2L1 Q07817 2/20 0.62
GSTP1 P09211 1/20 0.57
GSTM2 P28161 1/20 0.57
LMNA P02545 2/20 0.57
KDM4E B2RXH2 1/20 0.57
MAPT P10636 1/20 0.56
HTT P42858 1/20 0.56
SLC6A4 P31645 3/20 0.54
SLC6A2 P23975 2/20 0.54
SLC6A3 Q01959 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
PDE4B Q07343 1/20 0.52
PDE4D Q08499 1/20 0.52

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
SCHEMBL29484401 0.85 TXNRD1 (0.67) POLBBCL2L1GSTP1GSTM2LMNA
SCHEMBL4003277 0.85 LMNA (0.68) POLBBCL2L1GSTP1GSTM2LMNA
SCHEMBL1645182 0.85 TXNRD1 (0.67) POLBBCL2L1GSTP1GSTM2LMNA
SCHEMBL3407545 0.85 PDE7A (0.60) PDE7APDE7BPOLBBCL2L1LMNA
SCHEMBL2028311 0.84 SLC6A2 (0.68) PDE7APOLBBCL2L1GSTP1GSTM2
SCHEMBL17080274 0.84 LMNA (0.63) PDE7APDE7BPOLBBCL2L1GSTP1
SCHEMBL1645800 0.84 MAPT (0.60) PDE7APDE7BPOLBBCL2L1GSTP1
SCHEMBL1645181 0.84 SLC6A4 (0.75) POLBBCL2L1GSTP1GSTM2LMNA
SCHEMBL4001367 0.84 GSTP1 (0.57) PDE7APDE7BPOLBBCL2L1GSTP1
SCHEMBL3174865 0.84 GSTP1 (0.57) PDE7APDE7BPOLBBCL2L1GSTP1

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
EP-1937614-A1 IRON CATALYZED CROSS-COUPLING REACTIONS OF IMIDOYL DERIVATIVES Arcadia Pharmaceuticals Inc. (US) 2008-07-02 EP disclosed
US-20070106074-A1 Iron catalyzed cross-coupling reactions of imidoyl derivatives ACADIA PHARMACEUTICALS 2007-05-10 US disclosed
WO-2007047776-A1 IRON CATALYZED CROSS-COUPLING REACTIONS OF IMIDOYL DERIVATIVES ACADIA PHARMACEUTICALS INC. (US) 2007-04-26 WO 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-20070106074-A1 Iron catalyzed cross-coupling reactions of imidoyl derivatives SDHB, TFRC, SLC40A1 PDE7A 4861/4885PDE7B 4581/4885POLB 1159/4885

“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.