SCHEMBL18429153

SCHEMBL18429153

NC(=O)NN=C1CCC2(CC1)OCCO2

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 3/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
PTPN1 P18031 1/20 0.31

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
SCHEMBL56294 0.84 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2KDM4EKMT2AMEN1
SCHEMBL55895 0.75 KMT2A (0.52) ALDH1A1SMN1; SMN2KDM4EKMT2AMEN1
SCHEMBL9356593 0.73 KDM4E (0.48) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL11681383 0.72 KDM4E (0.35) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL9356896 0.71 KDM4E (0.52) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL14506039 0.70 KDM4E (0.36) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL5126540 0.69 KDM4E (0.43) SMN1; SMN2KDM4E
SCHEMBL14506037 0.67 KDM4E (0.44) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL9898745 0.65 KDM4E (0.30) SMN1; SMN2KDM4E
SCHEMBL11960017 0.64 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2KDM4EKMT2AMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3133075-B1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2020-12-30 EP disclosed
US-9745325-B2 Fused heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-08-29 US disclosed
EP-3133075-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2017-02-22 EP disclosed
US-20170037057-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-02-09 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-20170037057-A1 FUSED HETEROCYCLIC COMPOUND CDK8, CDK9, CDK19 ALDH1A1 2989/4885SMN1; SMN2 3417/4885KDM4E 363/4885

“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.