SCHEMBL18911841

SCHEMBL18911841

CN(CCCl)CCN=C=S

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.52
LMNA P02545 2/20 0.50
TP53 P04637 2/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
HBB P68871 1/20 0.50
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
BACH1 O14867 2/20 0.36
MAFK O60675 2/20 0.36
NAAA Q02083 1/20 0.35
TRPA1 O75762 8/20 0.34
MIF P14174 4/20 0.31
ALDH1A1 P00352 1/20 0.31
EGFR P00533 1/20 0.31
PTGS2 P35354 1/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
GSK3B P49841 1/20 0.31

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
SCHEMBL18912243 0.88 MAOA (0.41) MAPTLMNATP53TSHRHTT
SCHEMBL18912053 0.77
SCHEMBL18912064 0.75 PIK3CD (0.41) MAOAMAOBBACH1MAFKNAAA
SCHEMBL1268079 0.74
SCHEMBL18912051 0.74 NAAA (0.61) MAOAMAOBBACH1MAFKNAAA
SCHEMBL18911932 0.72 MAOA (0.39) LMNATP53MAOAMAOBBACH1
Mechlorethamine SCHEMBL11905424 0.72 MAPT (1.00) MAPTLMNATP53TSHRHTT
Mechlorethamine SCHEMBL3861 0.72
SCHEMBL18912046 0.71 NAAA (0.38) MAOAMAOBBACH1MAFKNAAA
SCHEMBL1024885 0.70

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-20170152222-A1 COMPOUNDS AND METHODS FOR INHIBITING PRODUCTION OF TRIMETHYLAMINE THE PROCTER & GAMBLE COMPANY 2017-06-01 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-20170152222-A1 COMPOUNDS AND METHODS FOR INHIBITING PRODUCTION OF TRIMETHYLAMINE CRAT, CPT1A, CPT1B MAPT 998/4885LMNA 2644/4885TP53 4883/4885

“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.