SCHEMBL29907436

SCHEMBL29907436

CC(C)(O)c1cc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)c(=O)n(-c2ccccc2OCC(F)(F)F)n1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 7/20 0.64
MAPT P10636 2/20 0.41
THRB P10828 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DHODH Q02127 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
BRAF P15056 5/20 0.37
CYP2C9 P11712 2/20 0.37
TP53 P04637 1/20 0.37
LCLAT1 Q6UWP7 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
CRACR2A Q9BSW2 1/20 0.36

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
SCHEMBL29907490 0.92 UGCG (0.75) UGCGMAPTTHRBSMN1; SMN2TP53
SCHEMBL29907628 0.87 UGCG (0.61) UGCGMAPTTHRBSMN1; SMN2TP53
SCHEMBL29907503 0.85 UGCG (0.60) UGCGMAPTTHRBSMN1; SMN2TP53
SCHEMBL29907410 0.83 UGCG (0.75) UGCGMAPTTHRBSMN1; SMN2
SCHEMBL29907407 0.80 UGCG (0.61) UGCGMAPTTHRBSMN1; SMN2RXFP1
SCHEMBL29907426 0.78 UGCG (1.00) UGCGMAPTLCLAT1
SCHEMBL29907465 0.76 UGCG (0.52) UGCGDHODHTRPV1LCLAT1
SCHEMBL29907497 0.75 UGCG (0.81) UGCGTRPV1
SCHEMBL29907428 0.75 UGCG (0.60) UGCG
SCHEMBL29907592 0.73 UGCG (1.00) UGCGMAPTSMN1; SMN2CYP2C9RXFP1

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-20220289679-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-09-15 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-20220289679-A1 HETEROCYCLIC COMPOUND GBA1, GBA2, GALC UGCG 10/4885MAPT 772/4885THRB 4857/4885

“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.