SCHEMBL5451485

SCHEMBL5451485

COc1cccc2c1CN(CC(=O)Nc1ccc(Oc3ccccc3)cc1)CC2

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.61
GAA P10253 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
KMT2A Q03164 5/20 0.60
ATM Q13315 1/20 0.58
ALDH1A1 P00352 5/20 0.57
NPSR1 Q6W5P4 1/20 0.57
MEN1 O00255 3/20 0.56
GLA P06280 1/20 0.56
HPGD P15428 2/20 0.55
MAPT P10636 3/20 0.54
KDM4E B2RXH2 2/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
RAB9A P51151 1/20 0.53
GFER P55789 1/20 0.53

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
SCHEMBL5449497 0.88 RECQL (0.65) GAASMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL5451280 0.84 POLB (0.69) LMNAGAASMN1; SMN2KMT2AALDH1A1
SCHEMBL5447851 0.80 ALDH1A1 (0.54) LMNAGAAKMT2AALDH1A1MEN1
SCHEMBL5753631 0.80 DRD2 (0.53) KMT2AMEN1KDM4ETSHRMAPK1
SCHEMBL5445261 0.79 NPC1 (0.57) KMT2AALDH1A1MEN1MAPTGFER
SCHEMBL5449559 0.79 DRD2 (0.49) LMNASMN1; SMN2KMT2AATMALDH1A1
SCHEMBL5447872 0.79 DRD2 (0.49) LMNASMN1; SMN2KMT2AATMALDH1A1
SCHEMBL5789543 0.78 KDM4E (0.52) LMNAGAAKMT2AALDH1A1MEN1
SCHEMBL5449773 0.78 PRMT5 (0.49) LMNAKMT2AALDH1A1MEN1KDM4E
SCHEMBL5451815 0.78 KMT2A (0.54) SMN1; SMN2KMT2AALDH1A1NPSR1MEN1

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 LMNA 1282/4885GAA 3285/4885SMN1; SMN2 76/4885

“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.