SCHEMBL4125824

SCHEMBL4125824

Cc1ccc(Sc2cc(CN(C)C(=O)O)nn2-c2ccccc2Cl)nc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 10/20 0.38
SLC16A1 P53985 9/20 0.38
GCK P35557 3/20 0.36
KDM4E B2RXH2 2/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
ATM Q13315 1/20 0.35
HTR2C P28335 1/20 0.35
SLC6A4 P31645 1/20 0.35
PDE4B Q07343 1/20 0.34
FPR1 P21462 1/20 0.34
KCNH2 Q12809 2/20 0.34
TRPM8 Q7Z2W7 1/20 0.33
HSD11B1 P28845 1/20 0.33

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
SCHEMBL3698137 0.88 HTR2C (0.49) SLC16A3SLC16A1MAPTHTR2CSLC6A4
SCHEMBL4130908 0.87 SLC16A3 (0.46) SLC16A3SLC16A1HTR2CSLC6A4
SCHEMBL3698141 0.87 SLC16A3 (0.37) SLC16A3SLC16A1GCKPDE4BFPR1
SCHEMBL3701337 0.84 SLC16A3 (0.36) SLC16A3SLC16A1HTR2CSLC6A4PDE4B
SCHEMBL4125828 0.83 P2RX7 (0.39) SLC16A3SLC16A1GCKMAPTMAPK1
SCHEMBL2838662 0.82 SLC16A3 (0.38) SLC16A3SLC16A1HTR2CSLC6A4PDE4B
SCHEMBL4140873 0.81 SLC16A3 (0.40) SLC16A3SLC16A1HTR2CSLC6A4PDE4B
SCHEMBL3700362 0.81 SLC16A3 (0.38) SLC16A3SLC16A1GCKKDM4EMAPT
SCHEMBL3708988 0.81 SLC16A3 (0.40) SLC16A3SLC16A1HTR2CSLC6A4PDE4B
SCHEMBL2839606 0.80 SLC6A4 (0.38) SLC16A3SLC16A1GCKMAPTHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190822-B1 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-12-31 EP disclosed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US 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-20090156642-A1 5-Membered heterocyclic compound CEL, PGA5, COG5 SLC16A3 2809/4885SLC16A1 2925/4885GCK 420/4885

“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.