SCHEMBL21777014

SCHEMBL21777014

Oc1nnc(-c2cc(Cl)c3c(c2)CCN3)o1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 3/20 0.34
▸ CYP11B1 P15538 2/20 0.33
▸ CYP11B2 P19099 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ MAPT P10636 3/20 0.32
▸ HTT P42858 3/20 0.32
▸ TDP1 Q9NUW8 3/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ MPI P34949 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ DRD4 P21917 1/20 0.32

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
SCHEMBL21792334 0.72 NOTUM (0.62) NOTUMMEN1KMT2AKDM4EMAPT
SCHEMBL21777037 0.71 NOTUM (0.62) NOTUMCYP11B2ACHEBACE1
SCHEMBL23451758 0.68 NOTUM (0.60) NOTUMCYP1A2KDM4EALDH1A1TP53
SCHEMBL4869956 0.67 MEN1 (0.56) CYP11B1CYP11B2CYP1A2MEN1KMT2A
SCHEMBL4869350 0.64 PARP10 (0.41) CYP11B1CYP11B2CYP1A2MEN1KMT2A
SCHEMBL21777035 0.64 NOTUM (0.63) NOTUMMETAP2ACHEBACE1
SCHEMBL23451871 0.62 NOTUM (0.47) NOTUMCYP1A2KDM4EMAPTL3MBTL1
SCHEMBL21777005 0.62 RAB9A (0.60) NOTUMCYP1A2KDM4EMAPTALDH1A1
SCHEMBL21865762 0.61 PARP10 (0.41) MEN1KMT2AKDM4EMAPTHTT
SCHEMBL4866774 0.61 ACHE (0.47) MEN1KMT2AKDM4EMAPTL3MBTL1

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 1/4885CYP11B1 77/4885CYP11B2 66/4885
US-20210171475-A1 COMPOUNDS GOT2, GOT1, OAT NOTUM 5/4885CYP11B1 12/4885CYP11B2 9/4885

“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.

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