SCHEMBL3106465

SCHEMBL3106465

Cc1cc(Cl)ccc1-c1ccccc1B(O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.43
NOTUM Q6P988 2/20 0.39
S100A4 P26447 1/20 0.39
ENPP2 Q13822 1/20 0.39
GPR3 P46089 1/20 0.38
MAP2 P11137 1/20 0.37
PDK2 Q15119 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
CNR1 P21554 1/20 0.35
CRHR1 P34998 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD11B1 P28845 1/20 0.35

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
SCHEMBL21756050 0.85 GRM2 (0.37) GRM2NOTUMS100A4ENPP2MAP2
SCHEMBL3106470 0.82 MAP2 (0.43) S100A4ENPP2MAP2PDK2KDM4E
SCHEMBL29953792 0.81 ELANE (0.42) ENPP2PDK2NPC1RAB9AMAPT
SCHEMBL30984364 0.81 NPC1 (0.49) GRM2NOTUMS100A4GPR3MAP2
SCHEMBL13176936 0.81 NPC1 (0.49) GRM2NOTUMS100A4GPR3MAP2
SCHEMBL29957084 0.78 ENPP2 (0.41) ENPP2NPC1CASP3RAB9ASENP8
SCHEMBL969623 0.78 ENPP2 (0.41) ENPP2NPC1CASP3RAB9ASENP8
SCHEMBL29719717 0.78 NOTUM (0.53) GRM2NOTUMS100A4CASP3HSD11B1
SCHEMBL4221663 0.78 KMT2A (0.45) GRM2NOTUMS100A4GPR3NPC1
SCHEMBL30145623 0.78 ENPP2 (0.50) GRM2NOTUMS100A4ENPP2HSD11B1

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 GRM2 2439/4885NOTUM 2196/4885S100A4 3551/4885

“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.