SCHEMBL5450010

SCHEMBL5450010

CS(=O)(=O)N(c1cccc2c1CN(CC(=O)N1c3ccccc3Oc3ccccc31)CC2)S(C)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
ALDH1A1 P00352 5/20 0.39
P2RX4 Q99571 6/20 0.38
TSHR P16473 2/20 0.37
PKM P14618 2/20 0.37
GAA P10253 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 3/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
P2RX1 P51575 1/20 0.35
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
C5AR1 P21730 1/20 0.34

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
SCHEMBL5448632 0.83 TP53 (0.40) TP53ALDH1A1P2RX4TSHRPKM
SCHEMBL5459451 0.83 PRMT5 (0.42) TP53ALDH1A1P2RX4PKMGAA
SCHEMBL5453600 0.82 TP53 (0.40) TP53ALDH1A1P2RX4TSHRPKM
SCHEMBL5459349 0.81 TP53 (0.43) TP53ALDH1A1P2RX4GAAKDM4E
SCHEMBL5460400 0.81 ALDH1A1 (0.43) TP53ALDH1A1P2RX4GAAKDM4E
SCHEMBL5445274 0.80 DRD2 (0.44) TP53ALDH1A1P2RX4KMT2A
SCHEMBL5460660 0.75 TP53 (0.43) TP53ALDH1A1P2RX4PKMGAA
SCHEMBL5456143 0.74 P2RX4 (0.39) TP53P2RX4KDM4EKMT2AMEN1
SCHEMBL5448629 0.73 P2RX4 (0.41) TP53P2RX4KDM4EKMT2AMEN1
SCHEMBL5453524 0.72 P2RX4 (0.50) TP53ALDH1A1P2RX4KDM4EKMT2A

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-20070043024-A1 Azacyclic compounds as inhibitors of sensory neurone specific channels IONIX PHARMACEUTICALS LIMITED (GB) 2007-02-22 US disclosed
EP-1660454-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC CHANNELS Vernalis (R&D) Limited (GB) 2006-05-31 EP disclosed
WO-2005005392-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC CHANNELS IONIX PHARMACEUTICALS LIMITED (GB) 2005-01-20 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-20070043024-A1 Azacyclic compounds as inhibitors of sensory neurone specific channels SCN1B, SCN1A, SCN10A TP53 4865/4885ALDH1A1 489/4885P2RX4 221/4885

“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.