SCHEMBL493307

SCHEMBL493307

COc1ccc(S(=O)(=O)N2CCCCC2COCC(=O)NCC2CCC(C(c3ccc(F)cc3)N(C)C)CC2)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NPC1 O15118 2/20 0.39
KMT2A Q03164 2/20 0.37
KCNH2 Q12809 3/20 0.36
ALDH1A1 P00352 4/20 0.35
RAB9A P51151 3/20 0.35
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
GAA P10253 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
SCHEMBL493099 0.93 NPC1 (0.43) LMNATSHRNPSR1NPC1KMT2A
SCHEMBL493088 0.93 OXTR (0.37) LMNATSHRNPSR1NPC1ALDH1A1
SCHEMBL493197 0.93 RAB9A (0.39) NPC1ALDH1A1RAB9AHPGDGAA
SCHEMBL493234 0.93 LMNA (0.37) LMNATSHRNPSR1NPC1ALDH1A1
SCHEMBL493505 0.91 LMNA (0.42) LMNATSHRNPSR1NPC1KMT2A
SCHEMBL492845 0.90 NPC1 (0.50) LMNATSHRNPSR1NPC1KMT2A
SCHEMBL493363 0.88 NPC1 (0.40) LMNATSHRNPSR1NPC1KMT2A
SCHEMBL492981 0.88 NPC1 (0.47) LMNATSHRNPSR1NPC1KMT2A
SCHEMBL492649 0.87 ALDH1A1 (0.38) NPC1KMT2AALDH1A1RAB9AL3MBTL1
SCHEMBL493106 0.87 NPC1 (0.36) NPC1ALDH1A1RAB9AHPGDHTT

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-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US claimed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US claimed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US 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 LMNA 2485/4885TSHR 4051/4885NPSR1 371/4885

“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.