SCHEMBL3104709

SCHEMBL3104709

Cc1sc(-c2ccccc2)cc1C(Nc1ccc(C(=O)O)nc1)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.42
LDHA P00338 1/20 0.40
LDHB P07195 1/20 0.40
P4HTM Q9NXG6 4/20 0.39
NR1H4 Q96RI1 1/20 0.39
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CHEK1 O14757 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
NTRK1 P04629 1/20 0.36
PDE7A Q13946 3/20 0.35
KIT P10721 1/20 0.35
PRKAA2 P54646 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
SCHEMBL3264349 0.88 RCE1 (0.39) RCE1LDHALDHBP4HTMNR1H4
SCHEMBL3111814 0.87 GCG (0.47) PDE7A
SCHEMBL3090561 0.86 GCG (0.36) RCE1LDHALDHBCHEK1PDE7A
SCHEMBL3109922 0.86 RCE1 (0.52) RCE1LDHALDHBKDM4EKMT2A
SCHEMBL3107034 0.77 GCG (0.46) RCE1SMN1; SMN2
SCHEMBL3113000 0.77 RCE1 (0.39) RCE1CHEK1PDE7A
SCHEMBL3094501 0.77 GCGR (0.39) RCE1CHEK1
SCHEMBL718060 0.76 P4HTM (0.40) RCE1P4HTMNR1H4KDM4EGLA
SCHEMBL3110106 0.76 RCE1 (0.45) RCE1NR1H4
SCHEMBL3110114 0.74 RCE1 (0.45) RCE1LDHALDHBKDM4EKMT2A

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 RCE1 3126/4885LDHA 3210/4885LDHB 2794/4885

“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.