SCHEMBL4135345

SCHEMBL4135345

O=C(O)NCCc1cc(Sc2cncc(F)c2)n(-c2ccccc2Cl)n1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
CNR1 P21554 2/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
HSD11B1 P28845 1/20 0.33
POLB P06746 1/20 0.33
SLC16A3 O15427 1/20 0.32
SLC16A1 P53985 1/20 0.32
REN P00797 2/20 0.32
MAPK11 Q15759 2/20 0.32
MAPK14 Q16539 2/20 0.32
MAPT P10636 1/20 0.32
TP53 P04637 1/20 0.32
PDE4B Q07343 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL4128953 0.87 P2RX7 (0.37) P2RX7SMN1; SMN2CNR1HSD11B1SLC16A3
SCHEMBL3708990 0.85 P2RX7 (0.39) P2RX7SMN1; SMN2CNR1SLC16A3SLC16A1
SCHEMBL4127317 0.83 NOTUM (0.36) P2RX7TMEM97SIGMAR1SLC16A3SLC16A1
SCHEMBL2838664 0.83 SMN1; SMN2 (0.38) P2RX7SMN1; SMN2CNR1HSD11B1SLC16A3
SCHEMBL4134986 0.82 SMN1; SMN2 (0.36) SMN1; SMN2CNR1SLC16A3SLC16A1MAPT
SCHEMBL4119116 0.82 ATM (0.35) P2RX7CNR1POLBMAPTTP53
SCHEMBL4120313 0.82 MDM2 (0.38) P2RX7SMN1; SMN2POLBMAPTTP53
SCHEMBL4135340 0.81 CNR1 (0.36) P2RX7CNR1HSD11B1SLC16A3SLC16A1
SCHEMBL4140877 0.81 SLC16A3 (0.38) P2RX7SMN1; SMN2CNR1SLC16A3SLC16A1
SCHEMBL4126825 0.80 P2RX7 (0.36) P2RX7SMN1; SMN2CNR1TMEM97SIGMAR1

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 1303/4885SMN1; SMN2 4327/4885CNR1 938/4885

“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.