SCHEMBL21160937

SCHEMBL21160937

CC(C)(I)c1[nH]ncc1C#N

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
ALDH1A1 P00352 1/20 0.33
TRPA1 O75762 2/20 0.30
AR P10275 1/20 0.30
MAPK10 P53779 1/20 0.30
RIPK1 Q13546 1/20 0.30

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
SCHEMBL16562337 0.84 ALDH1A1 (0.43) GAAALDH1A1TRPA1AR
SCHEMBL12933739 0.76 TRPA1 (0.40) GAATRPA1AR
SCHEMBL21884271 0.71 ALDH1A1 (0.37) ALDH1A1
SCHEMBL11948731 0.69
SCHEMBL5754828 0.69
SCHEMBL28953511 0.66
SCHEMBL31011153 0.64
SCHEMBL16654249 0.64
SCHEMBL174458 0.64
SCHEMBL23278530 0.64 GAA (0.39) GAATRPA1MAPK10RIPK1

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-10329280-B2 Urea derivatives and uses thereof KALA PHARMACEUTICALS, INC. (US) 2019-06-25 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-10329280-B2 Urea derivatives and uses thereof UACA, RB1, FLT1 GAA 491/4885ALDH1A1 1432/4885TRPA1 1742/4885

“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.