SCHEMBL21776830

SCHEMBL21776830

OCc1ncn(-c2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 11/20 0.52
SIGMAR1 Q99720 6/20 0.40
KCNH2 Q12809 1/20 0.39
ABL1 P00519 1/20 0.39

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
SCHEMBL17188088 0.83 MYC (0.50) NOTUMABL1
SCHEMBL4559227 0.82 F9 (0.36) NOTUM
SCHEMBL19402280 0.81 NOTUM (0.47) NOTUMKCNH2
SCHEMBL5477117 0.79 NOTUM (0.52) NOTUM
SCHEMBL10360312 0.78 NOTUM (0.56) NOTUMSIGMAR1ABL1
SCHEMBL18818196 0.76 NOTUM (0.46) NOTUM
SCHEMBL16202026 0.75 NOTUM (0.56) NOTUMSIGMAR1KCNH2
SCHEMBL4886069 0.74 MAPT (0.47) NOTUM
SCHEMBL23975942 0.73 NOTUM (0.52) NOTUM
SCHEMBL17188075 0.73 MYC (0.49) NOTUMKCNH2ABL1

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 1/4885SIGMAR1 1641/4885KCNH2 4732/4885
US-20210171475-A1 COMPOUNDS GOT2, GOT1, OAT NOTUM 5/4885SIGMAR1 579/4885KCNH2 4604/4885

“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.