SCHEMBL3500260

SCHEMBL3500260

Cc1sc(C=O)cc1CNC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
ALOX12 P18054 1/20 0.35
CYP2A6 P11509 1/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
PDE10A Q9Y233 1/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 1/20 0.32
SRC P12931 1/20 0.32
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
DAO P14920 1/20 0.31

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
SCHEMBL4427042 0.79 SRC (0.47) POLBALOX12CYP2A6KMT2AALDH1A1
SCHEMBL17398529 0.77 CYP2A6 (0.38) CYP2A6KMT2AALDH1A1HPGDKDM4E
SCHEMBL3500419 0.70 CYP2A6 (0.36) POLBALOX12CYP2A6KMT2AGAA
SCHEMBL1417254 0.69 ALDH1A1 (0.39) POLBALOX12CYP2A6KMT2AALDH1A1
SCHEMBL25285311 0.69 ALDH1A1 (0.37) KMT2AALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL17410506 0.66 BACE1 (0.34) CYP2A6ALDH1A1
SCHEMBL2222194 0.65
SCHEMBL17398480 0.64 CYP2A6 (0.41) POLBCYP2A6KMT2AALDH1A1HPGD
SCHEMBL17398210 0.63 CYP2A6 (0.39) POLBALOX12CYP2A6ALDH1A1SMN1; SMN2
SCHEMBL6696629 0.63 KMT2A (0.45) KMT2AGAAALDH1A1HPGDSRC

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-8492405-B2 Glucokinase-activating fused heterocyclic compounds and methods of treating diabetes and obesity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-23 US disclosed
US-20100184794-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-22 US disclosed
EP-2077267-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-07-08 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-20100184794-A1 FUSED HETEROCYCLIC COMPOUND GCKR, GCK, SLC5A1 POLB 4001/4885ALOX12 3252/4885CYP2A6 470/4885

“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.