SCHEMBL3101765

SCHEMBL3101765

Cc1noc(C)c1-c1cc(C=O)c(C)o1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 5/20 0.56
▸ BRD4 O60885 11/20 0.49
▸ BRD2 P25440 3/20 0.40
▸ BRD3 Q15059 1/20 0.39
▸ CREBBP Q92793 2/20 0.37
▸ CYP1A2 P05177 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ CLK4 Q9HAZ1 1/20 0.36

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
SCHEMBL1116271 0.73 BRD4 (0.53) ERN1BRD4BRD2CREBBPALDH1A1
SCHEMBL3104665 0.73 POLB (0.36) ERN1BRD4BRD2BRD3CREBBP
SCHEMBL12766791 0.72 ERN1 (1.00) ERN1BRD4BRD2CREBBP
SCHEMBL6040649 0.71 ERN1 (0.59) ERN1BRD4BRD2BRD3ALDH1A1
SCHEMBL2498903 0.70 BRD4 (0.53) ERN1BRD4BRD2CREBBPCYP1A2
SCHEMBL8326046 0.70 ERN1 (0.72) ERN1BRD4BRD2BRD3
SCHEMBL12767795 0.69 ERN1 (1.00) ERN1BRD4BRD2BRD3CREBBP
SCHEMBL15600597 0.69 ERN1 (0.86) ERN1BRD4BRD2BRD3CREBBP
SCHEMBL12767020 0.68 ERN1 (1.00) ERN1
SCHEMBL18359658 0.68 ERN1 (0.55) ERN1BRD4BRD2BRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2210876-B1 HETEROCYCLIC COMPOUND AS GLUCAGON ANTAGONIST TAKEDA PHARMACEUTICAL (JP) 2015-05-20 — — EP disclosed
US-8309580-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-13 — — US disclosed
US-20100256156-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-07 — — US disclosed
EP-2210876-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-07-28 — — EP 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 (1 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-20100256156-A1 HETEROCYCLIC COMPOUND GLP1R, GPR119, GCGR ERN1 1620/4885BRD4 90/4885BRD2 357/4885

“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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