SCHEMBL12019015

SCHEMBL12019015

CCCCCC(C(C)=N)C(C)=N

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
TRPA1 O75762 1/20 0.43
DDAH1 O94760 1/20 0.43
GAPDH P04406 1/20 0.43
SPHK1 Q9NYA1 2/20 0.42
SPHK2 Q9NRA0 1/20 0.42
LMNA P02545 1/20 0.42
OPRM1 P35372 1/20 0.40
FDPS P14324 4/20 0.39
GPR84 Q9NQS5 3/20 0.38
FFAR1 O14842 1/20 0.38
CA1 P00915 1/20 0.38
TP53 P04637 1/20 0.37
LAP3 P28838 1/20 0.37
LCK P06239 1/20 0.37
PPARD Q03181 1/20 0.37
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37

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
SCHEMBL27641377 0.84 GPR84 (0.55) MAPTGPR84FFAR1LCKPPARD
SCHEMBL20143627 0.77 CA1 (0.52) MAPTSPHK1LMNAOPRM1FDPS
SCHEMBL18100109 0.77 CA2 (0.48) MAPTSPHK1SPHK2LMNAFDPS
SCHEMBL24933465 0.77 CA1 (0.52) MAPTSPHK1LMNAOPRM1FDPS
SCHEMBL27473530 0.75 CA2 (0.46) LMNAOPRM1FDPSGPR84FFAR1
SCHEMBL22986849 0.75 GPR84 (0.56) MAPTSPHK1LMNAFDPSGPR84
SCHEMBL1310281 0.74 GPR84 (0.48) MAPTTRPA1DDAH1GAPDHFDPS
SCHEMBL27381632 0.73 CA2 (0.45) SPHK1SPHK2LMNAFDPSGPR84
SCHEMBL27400263 0.73 CA2 (0.45) SPHK1SPHK2LMNAFDPSGPR84
SCHEMBL14079194 0.72 GPR84 (0.52) MAPTFDPSGPR84FFAR1LCK

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-20120220753-A1 N-Terminal Dimerization Methods with Bis-Amindino Acid and Bis-Thioimidate Derivatives THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE 2012-08-30 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-20120220753-A1 N-Terminal Dimerization Methods with Bis-Amindino Acid and Bis-Thioimidate Derivatives ERBB2, MAX, DNPEP MAPT 1722/4885TRPA1 4180/4885DDAH1 362/4885

“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.