SCHEMBL5451064

SCHEMBL5451064

COc1cc2c(cc1OC)CN(CC(=O)N1c3ccccc3Sc3ccc(SC)cc31)CC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
ALDH1A1 P00352 4/20 0.47
USP2 O75604 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.45
KDM4E B2RXH2 3/20 0.44
LMNA P02545 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TSHR P16473 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HTT P42858 1/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL5466400 0.91 ALDH1A1 (0.56) MAPTSMN1; SMN2CYP3A4CYP2D6ALDH1A1
SCHEMBL5454473 0.89 CYP3A4 (0.48) MAPTCYP3A4CYP2D6ALDH1A1USP2
SCHEMBL5451708 0.87 MEN1 (0.57) MAPTCYP3A4CYP2D6ALDH1A1USP2
SCHEMBL5456545 0.86 CYP3A4 (0.48) MAPTSMN1; SMN2CYP3A4CYP2D6ALDH1A1
SCHEMBL5461510 0.85 MEN1 (0.64) MAPTSMN1; SMN2CYP3A4CYP2D6ALDH1A1
SCHEMBL5279427 0.82 CYP3A4 (0.41) MAPTCYP3A4CYP2D6ALDH1A1USP2
SCHEMBL5453799 0.82 CYP3A4 (0.48) MAPTCYP3A4CYP2D6ALDH1A1USP2
SCHEMBL5458572 0.77 ALDH1A1 (0.54) MAPTSMN1; SMN2CYP3A4CYP2D6ALDH1A1
SCHEMBL5451057 0.76 MEN1 (0.55) MAPTCYP3A4CYP2D6ALDH1A1USP2
SCHEMBL5467983 0.76 CYP3A4 (0.48) MAPTCYP3A4CYP2D6ALDH1A1USP2

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 MAPT 2361/4885SMN1; SMN2 76/4885CYP3A4 4095/4885

“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.