SCHEMBL29907628

SCHEMBL29907628

C=C(C)c1ccc(NC(=O)c2cc(C(C)(C)O)nn(-c3ccccc3OCC(F)(F)F)c2=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 6/20 0.61
MAPT P10636 5/20 0.42
THRB P10828 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.39
TP53 P04637 2/20 0.38
CRACR2A Q9BSW2 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
S1PR1 P21453 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
LCLAT1 Q6UWP7 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 0.90 UGCG (0.75) UGCGMAPTTHRBSMN1; SMN2TP53
SCHEMBL29907436 0.87 UGCG (0.64) UGCGMAPTTHRBSMN1; SMN2TP53
SCHEMBL29907503 0.86 UGCG (0.60) UGCGMAPTTHRBSMN1; SMN2POLB
SCHEMBL29907407 0.82 UGCG (0.61) UGCGMAPTTHRBSMN1; SMN2CRACR2A
SCHEMBL29907410 0.81 UGCG (0.75) UGCGMAPTTHRBSMN1; SMN2HCRTR1
SCHEMBL29907497 0.76 UGCG (0.81) UGCG
SCHEMBL29907426 0.76 UGCG (1.00) UGCGMAPTLCLAT1
SCHEMBL29601498 0.75 UGCG (0.55) UGCGMAPTTHRBSMN1; SMN2POLB
SCHEMBL29907396 0.73 UGCG (0.54) UGCGMAPTTHRBSMN1; SMN2POLB
SCHEMBL29907489 0.72 UGCG (0.79) UGCGRXFP1S1PR1HCRTR1HCRTR2

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.