SCHEMBL26327807

SCHEMBL26327807

CCCOC(=O)C(C(=O)OCCC)N(c1ccccc1)c1ccc(SC)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 4/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CHRM1 P11229 4/20 0.38
CHRM3 P20309 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
KIF11 P52732 1/20 0.35
CHRM5 P08912 1/20 0.35
NOX1 Q9Y5S8 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35

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
SCHEMBL26327948 0.94 TAS1R3 (0.39) LMNAKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL26325985 0.89 LMNA (0.51) LMNAKMT2AALDH1A1CYP1A2CYP2D6
SCHEMBL26327800 0.85 LMNA (0.45) LMNAKMT2AALDH1A1CYP1A2CYP2D6
SCHEMBL26327819 0.85 LMNA (0.45) LMNAALDH1A1CYP1A2CYP2D6SMN1; SMN2
SCHEMBL26327977 0.83 LMNA (0.46) LMNAALDH1A1CYP1A2CYP2D6SMN1; SMN2
SCHEMBL26327814 0.82 LTA4H (0.44) LMNAKMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL25440240 0.81 KMT2A (0.40) LMNAKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL26327958 0.81 LTA4H (0.45) LMNAKMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL26327935 0.78 POLB (0.40) LMNAKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL26327939 0.77 MEN1 (0.44) LMNAKMT2AMEN1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11767291-B2 Preparation of secondary amines with electrophilic N-linchpin reagents WILLIAM MARSH RICE UNIVERSITY (US) 2023-09-26 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-11767291-B2 Preparation of secondary amines with electrophilic N-linchpin reagents PNMT, NCL, NPM1 LMNA 167/4885KMT2A 127/4885MEN1 296/4885

“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.