SCHEMBL3102009

SCHEMBL3102009

COc1ccc(-c2cc(C=O)c(C)o2)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.53
HDAC6 Q9UBN7 1/20 0.46
TDP1 Q9NUW8 1/20 0.42
CYP2A6 P11509 2/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
PIK3CA P42336 2/20 0.39
PIK3CD O00329 1/20 0.39
PIP5K1C O60331 1/20 0.39
PIK3CB P42338 1/20 0.39
PI4KA P42356 1/20 0.39
PIK3CG P48736 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
TUBB4A P04350 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
SCHEMBL3108897 0.84 PIK3CD (0.35) ERN1CA2PIK3CAPIK3CDPIK3CB
SCHEMBL3102753 0.83 ERN1 (0.48) ERN1HDAC6TDP1CYP2A6MKNK1
SCHEMBL3103952 0.81 ERN1 (0.39) ERN1CYP2A6PIK3CDMAPT
SCHEMBL3104780 0.81 ERN1 (0.39) ERN1CYP2A6MAPT
SCHEMBL3106747 0.77 EGFR (0.57) ERN1TDP1MAPT
SCHEMBL3110301 0.77 ERN1 (0.53) ERN1CYP2A6MKNK1MKNK2HSD17B1
SCHEMBL3101392 0.77 HDAC6 (0.52) HDAC6TDP1CYP2A6MKNK1MKNK2
SCHEMBL3107026 0.76 HDAC6 (0.46) ERN1HDAC6TDP1CYP2A6MKNK1
SCHEMBL18717155 0.74 ERN1 (0.76) ERN1MKNK1MKNK2HSD17B1HSD17B2
SCHEMBL3106911 0.74 CYP3A4 (0.55) ERN1CYP2A6

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 1620/4885HDAC6 2860/4885TDP1 4801/4885

“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.