SCHEMBL29601938

SCHEMBL29601938

CCOC(=O)C1=NN(c2ccccc2OCC(F)(F)F)C(=O)[C@@H](C(=O)Nc2ccc(OC(F)F)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 4/20 0.38
UGCG Q16739 2/20 0.38
ACSS2 Q9NR19 1/20 0.38
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
PAX8 Q06710 1/20 0.35
POLB P06746 3/20 0.35
DRD2 P14416 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
PKM P14618 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL29907406 0.73 UGCG (0.52) SMN1; SMN2ALDH1A1UGCGMEN1KMT2A
SCHEMBL29601498 0.66 UGCG (0.55) SMN1; SMN2ALDH1A1UGCGMEN1KMT2A
SCHEMBL29907503 0.66 UGCG (0.60) SMN1; SMN2ALDH1A1UGCGMEN1KMT2A
SCHEMBL29907396 0.66 UGCG (0.54) SMN1; SMN2ALDH1A1UGCGMEN1KMT2A
SCHEMBL29601522 0.64 MEN1 (0.38) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL4112564 0.61 MEN1 (0.68) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL29907514 0.59 UGCG (0.45) UGCGKMT2APOLBL3MBTL1GAA
SCHEMBL4122995 0.58 MAPT (0.74) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL4105198 0.58 MAPT (0.68) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL22729663 0.57 KDM4E (0.45) SMN1; SMN2ALDH1A1UGCGMEN1KMT2A

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 2 patents. 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
EP-4005637-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2022-06-01 EP 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 SMN1; SMN2 71/4885ALDH1A1 1563/4885UGCG 10/4885

“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.