SCHEMBL5453600

SCHEMBL5453600

O=C(CN1CCc2cccc(S(=O)(=O)O)c2C1)N1c2ccccc2Oc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
ALDH1A1 P00352 6/20 0.40
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
P2RX4 Q99571 3/20 0.37
TSHR P16473 2/20 0.36
KDM4E B2RXH2 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
USP2 O75604 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL5459349 0.85 TP53 (0.43) TP53ALDH1A1GAALMNAPOLB
SCHEMBL5460400 0.84 ALDH1A1 (0.43) TP53ALDH1A1GAALMNAPOLB
SCHEMBL5448632 0.82 TP53 (0.40) TP53ALDH1A1GAAPKMHSD17B10
SCHEMBL5459451 0.82 PRMT5 (0.42) TP53ALDH1A1GAAPKMHSD17B10
SCHEMBL5450010 0.82 TP53 (0.40) TP53ALDH1A1GAAPKMHSD17B10
SCHEMBL5445274 0.81 DRD2 (0.44) TP53ALDH1A1P2RX4KMT2A
SCHEMBL5460660 0.81 TP53 (0.43) TP53ALDH1A1GAAPKMHSD17B10
SCHEMBL5453524 0.75 P2RX4 (0.50) TP53ALDH1A1P2RX4KDM4EKMT2A
SCHEMBL5459188 0.75 ALDH1A1 (0.46) TP53ALDH1A1GAALMNAP2RX4
SCHEMBL5446642 0.74 DRD2 (0.41) TP53ALDH1A1LMNAPOLBP2RX4

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 489/4885GAA 3285/4885

“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.