SCHEMBL5445346

SCHEMBL5445346

COc1cccc2c1CN(C(=S)NC(c1ccccc1)c1ccccc1)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 2/20 0.47
HSP90B1 P14625 1/20 0.44
TRAP1 Q12931 1/20 0.44
KMT2A Q03164 6/20 0.42
MEN1 O00255 5/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TACR1 P25103 1/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.40
SLC6A9 P48067 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL5458527 0.90 KMT2A (0.48) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL5450017 0.76 KMT2A (0.52) ABHD6KMT2AMEN1ALDH1A1LMNA
SCHEMBL16638014 0.73 ABHD6 (0.61) ABHD6HSP90B1TRAP1SLC6A9
SCHEMBL5451822 0.72 MAPT (0.58) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL5458468 0.72 DRD2 (0.44) LMNAPOLB
SCHEMBL31652763 0.72 KMT2A (0.53) ABHD6HSP90B1TRAP1KMT2AMEN1
SCHEMBL5450957 0.71 DRD1 (0.49) ABHD6KMT2AMEN1ALDH1A1LMNA
SCHEMBL5447851 0.71 ALDH1A1 (0.54) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL5451032 0.71 GRM7 (0.48) ABHD6KMT2AMEN1ALDH1A1KDM4E
SCHEMBL14067231 0.70 ABHD6 (0.61) ABHD6HSP90B1TRAP1SMN1; SMN2SLC6A9

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 4 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
EP-0804438-B1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS WYETH CORP (US) 2006-03-15 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 ABHD6 4571/4885HSP90B1 3504/4885TRAP1 1431/4885

“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.