SCHEMBL5453524

SCHEMBL5453524

O=C(CN1Cc2ccccc2C1)N1c2ccccc2Oc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 9/20 0.50
TP53 P04637 1/20 0.47
ALDH1A1 P00352 3/20 0.45
P2RX1 P51575 2/20 0.44
P2RX3 P56373 1/20 0.44
USP2 O75604 1/20 0.44
ALOX15 P16050 1/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL5453627 0.87 P2RX4 (0.41) P2RX4TP53ALDH1A1P2RX1P2RX3
SCHEMBL5466277 0.86 P2RX4 (0.43) P2RX4TP53ALDH1A1
SCHEMBL5455314 0.84 P2RX4 (0.39) P2RX4TP53ALDH1A1KDM4EMEN1
SCHEMBL9419617 0.83 ALDH1A1 (0.64) P2RX4TP53ALDH1A1USP2ALOX15
SCHEMBL5458663 0.83 P2RX4 (0.44) P2RX4TP53ALDH1A1KDM4E
SCHEMBL9419641 0.82 ALDH1A1 (0.62) P2RX4TP53ALDH1A1USP2ALOX15
SCHEMBL5451618 0.81 LTA4H (0.48) TP53ALDH1A1
SCHEMBL5460660 0.81 TP53 (0.43) P2RX4TP53ALDH1A1USP2ALOX15
SCHEMBL9419650 0.81 HTT (0.54) P2RX4TP53ALDH1A1USP2ALOX15
SCHEMBL5456143 0.80 P2RX4 (0.39) P2RX4TP53P2RX1P2RX3KDM4E

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 P2RX4 221/4885TP53 4865/4885ALDH1A1 489/4885

“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.