SCHEMBL21776986

SCHEMBL21776986

OCc1cn(-c2ccc(Cl)c(C3CC3)c2)nn1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 18/20 0.70
KDM4E B2RXH2 1/20 0.58
MAPT P10636 1/20 0.58
KCNH2 Q12809 1/20 0.51

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
SCHEMBL21792045 0.83 NOTUM (1.00) NOTUMKDM4EMAPTKCNH2
SCHEMBL19211499 0.80 NOTUM (0.78) NOTUMKDM4EMAPT
SCHEMBL21792335 0.79 NOTUM (1.00) NOTUMKDM4EMAPT
SCHEMBL19219150 0.79 NOTUM (0.76) NOTUMKDM4EMAPTKCNH2
SCHEMBL19211410 0.76 NOTUM (0.76) NOTUMKDM4EMAPTKCNH2
SCHEMBL21792303 0.76 NOTUM (0.64) NOTUMKDM4EMAPTKCNH2
SCHEMBL23451480 0.76 NOTUM (0.70) NOTUMKDM4EMAPT
SCHEMBL23451838 0.76 NOTUM (1.00) NOTUMKDM4EMAPTKCNH2
SCHEMBL19211368 0.76 GRIN1 (0.71) NOTUMKCNH2
SCHEMBL19211455 0.76 NOTUM (0.71) NOTUMKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11634391-B2 Compounds which are inhibitors of Notum UCL BUSINESS LTD (GB) 2023-04-25 US disclosed
EP-3843844-A1 COMPOUNDS UCL Business Ltd (GB) 2021-07-07 EP disclosed
US-20210171475-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2021-06-10 US disclosed
US-20210171475-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2021-06-10 US disclosed
WO-2020043866-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2020-03-05 WO disclosed
WO-2020043866-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2020-03-05 WO 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 (2 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-11634391-B2 Compounds which are inhibitors of Notum NOTUM, GOT2, GOT1 NOTUM 1/4885KDM4E 3907/4885MAPT 1431/4885
US-20210171475-A1 COMPOUNDS GOT2, GOT1, OAT NOTUM 5/4885KDM4E 4149/4885MAPT 315/4885

“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.