SCHEMBL493818

SCHEMBL493818

COc1cc(C)c(S(=O)(=O)N2CCCCC2COCC(=O)NC2CCC(C(c3ccccc3)N3CCOCC3)CC2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.38
CYP3A4 P08684 3/20 0.37
CYP2C19 P33261 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
CYP2D6 P10635 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KCNH2 Q12809 1/20 0.34
CYP1A2 P05177 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL493699 0.98 ATM (0.37) ATMCYP3A4CYP2C19MEN1KMT2A
SCHEMBL492997 0.95 RAB9A (0.37) CYP3A4CYP2C19MEN1KMT2ARAB9A
SCHEMBL493955 0.94 RAB9A (0.38) CYP3A4CYP2C19RAB9ANPC1ALDH1A1
SCHEMBL492720 0.92 CACNA2D1 (0.36) CYP3A4CYP2C19RAB9ANPC1ALDH1A1
SCHEMBL493010 0.91 PTGIR (0.37) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL494334 0.90 RAB9A (0.37) CYP3A4RAB9AALDH1A1LMNACYP2D6
SCHEMBL493546 0.88 RAB9A (0.39) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL493637 0.88 ATM (0.36) ATMMEN1KMT2ARAB9ANPC1
SCHEMBL492865 0.87 CYP3A4 (0.38) ATMCYP3A4CYP2C19MEN1KMT2A
SCHEMBL493388 0.86 MEN1 (0.38) ATMCYP3A4CYP2C19MEN1KMT2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US claimed
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP claimed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US claimed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO claimed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US disclosed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 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-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD ATM 1904/4885CYP3A4 465/4885CYP2C19 134/4885

“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.