SCHEMBL6980467

SCHEMBL6980467

OCc1cn(Cc2ccc(Cl)cc2)nn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 1.00
KDM4E B2RXH2 1/20 0.58
MAPT P10636 1/20 0.58
HDAC1 Q13547 1/20 0.56
CYP19A1 P11511 3/20 0.55
ACHE P22303 2/20 0.55
MGAM O43451 2/20 0.48
GAA P10253 2/20 0.48
SI P14410 2/20 0.48
MGAM2 Q2M2H8 2/20 0.48
HSP90AB1 P08238 2/20 0.48
KCNMA1 Q12791 1/20 0.47

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
SCHEMBL16206205 0.85 NOTUM (0.73) NOTUMHDAC1CYP19A1MGAMGAA
SCHEMBL2820182 0.85 NOTUM (0.73) NOTUMHDAC1CYP19A1
SCHEMBL12885309 0.85 NOTUM (0.73) NOTUMHDAC1CYP19A1HSP90AB1
SCHEMBL2494737 0.84 NOTUM (0.73) NOTUMHDAC1CYP19A1HSP90AB1KCNMA1
SCHEMBL3650120 0.84 NOTUM (0.72) NOTUMHDAC1HSP90AB1
SCHEMBL28863788 0.83 NOTUM (0.71) NOTUMKDM4EMAPTCYP19A1HSP90AB1
SCHEMBL2820279 0.82 NOTUM (0.69) NOTUMHDAC1CYP19A1HSP90AB1
SCHEMBL2821391 0.81 NOTUM (0.68) NOTUMMAPTHDAC1CYP19A1HSP90AB1
SCHEMBL2819423 0.81 NOTUM (0.68) NOTUMHDAC1CYP19A1MGAMGAA
SCHEMBL13573693 0.81 CYP19A1 (0.70) NOTUMHDAC1CYP19A1

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
US-20210171475-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2021-06-10 US disclosed
US-6566376-B1 For therapy of chemokine receptor related diseases and conditions such as rheumatoid arthritis, chronic obstructive pulmonary disease ASTRAZENECA UK LIMITED (GB) 2003-05-20 US disclosed
EP-1202984-B1 DIPHENYL-PIPERIDINE DERIVATE ASTRAZENECA UK LTD (GB) 2003-03-05 EP disclosed
EP-1202984-A1 NOVEL DIPHENYL-PIPERIDINE DERIVATE AstraZeneca UK Limited (GB) 2002-05-08 EP disclosed
WO-2001005782-A1 NOVEL DIPHENYL-PIPERIDINE DERIVATE ASTRAZENECA UK LIMITED (GB) 2001-01-25 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.