SCHEMBL4125828

SCHEMBL4125828

Cc1ccc(Sc2cc(CCNC(=O)O)nn2-c2ccccc2Cl)nc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.39
GCK P35557 5/20 0.38
SLC16A3 O15427 3/20 0.36
SLC16A1 P53985 3/20 0.36
MAPT P10636 3/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
PDE4B Q07343 1/20 0.34
RIPK1 Q13546 1/20 0.34
FPR1 P21462 1/20 0.34
KCNH2 Q12809 2/20 0.34
USP2 O75604 1/20 0.33
GLA P06280 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD11B1 P28845 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CNR1 P21554 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
SCHEMBL4130915 0.87 SLC16A3 (0.41) SLC16A3SLC16A1KMT2ASMN1; SMN2RIPK1
SCHEMBL3701339 0.84 LMNA (0.36) P2RX7SLC16A3SLC16A1MAPTKMT2A
SCHEMBL4125824 0.83 SLC16A3 (0.38) GCKSLC16A3SLC16A1MAPTPDE4B
SCHEMBL2839606 0.82 SLC6A4 (0.38) P2RX7GCKSLC16A3SLC16A1MAPT
SCHEMBL4140877 0.82 SLC16A3 (0.38) P2RX7GCKSLC16A3SLC16A1MAPT
SCHEMBL2838664 0.82 SMN1; SMN2 (0.38) P2RX7SLC16A3SLC16A1MAPTKMT2A
SCHEMBL3698138 0.82 SLC16A3 (0.38) GCKSLC16A3SLC16A1MAPTKMT2A
SCHEMBL4119656 0.81 P2RX7 (0.39) P2RX7GCKSLC16A3SLC16A1MAPT
SCHEMBL4132130 0.81 SLC16A3 (0.38) SLC16A3SLC16A1MAPTKMT2ASMN1; SMN2
SCHEMBL3697426 0.81 SLC16A3 (0.38) SLC16A3SLC16A1MAPTKMT2ASMN1; SMN2

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 P2RX7 1303/4885GCK 420/4885SLC16A3 2809/4885

“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.