SCHEMBL6769153

SCHEMBL6769153

Oc1cc(Cl)ccc1-c1nnco1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 12/20 0.68
KMT2A Q03164 1/20 0.46
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 1/20 0.39
HSP90AA1 P07900 1/20 0.39
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL16348370 0.88 NOTUM (0.61) NOTUMKMT2ACA1CA2CA12
SCHEMBL27457889 0.84 NOTUM (0.70) NOTUMKMT2ACA1CA2CA12
SCHEMBL656718 0.81 NOTUM (0.49) NOTUMCA1CA2CA12CA9
SCHEMBL30412729 0.81 NOTUM (1.00) NOTUMKMT2ACA1CA2CA12
SCHEMBL31276846 0.81 NOTUM (0.66) NOTUMKMT2ACA1CA2CA12
SCHEMBL23451556 0.81 NOTUM (1.00) NOTUMKMT2ACA1CA2CA12
SCHEMBL30702166 0.81 NOTUM (0.66) NOTUMKMT2ACA1CA2CA12
SCHEMBL20360238 0.81 NOTUM (0.66) NOTUMKMT2ACA1CA2CA12
SCHEMBL4850237 0.77 NOTUM (0.65) NOTUMKMT2ATSHRALDH1A1CYP3A4
Fenadiazole SCHEMBL555484 0.76 NOTUM (0.61) NOTUMKMT2ATSHRALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040242633-A1 Beta3 adrenergic agonists EVERS BRITTA (DE) 2004-12-02 US disclosed
US-6730792-B2 PYRIDINE DERIVATIVES; ANTIDIABETIC, ANTICHOLESTEROL, AND ANTIINFLAMMATORY AGENTS; DECYCLIZATION, DEETHERIFICATION; OBESITY; RAISES HIGH DENSITY LIPOPROTEINS; LOWERS TRIGLYCERIDE LEVELS ELI LILLY AND COMPANY 2004-05-04 US disclosed
US-20030191156-A1 Beta3 adrenergic agonists JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2003-10-09 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 (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-20030191156-A1 Beta3 adrenergic agonists ADRB3, ADRB1, ADRB2 NOTUM 1710/4885KMT2A 3262/4885CA1 4313/4885
US-20040242633-A1 Beta3 adrenergic agonists ADRB3, ADRB1, ADRB2 NOTUM 1973/4885KMT2A 3460/4885CA1 4064/4885

“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.