SCHEMBL4120313

SCHEMBL4120313

O=C(O)NCCc1cc(Sc2cccnc2)n(-c2cccc(Cl)c2F)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 2/20 0.38
RIPK1 Q13546 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.34
KMT2A Q03164 2/20 0.34
NOTUM Q6P988 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
ATM Q13315 1/20 0.34
P2RX7 Q99572 1/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
THRB P10828 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAPT P10636 2/20 0.32
PDE4B Q07343 1/20 0.32
PDE4D Q08499 1/20 0.32

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 0.91 P2RX7 (0.37) SMN1; SMN2KMT2AMEN1NPC1GAA
SCHEMBL4131521 0.89 ATM (0.37) SMN1; SMN2KMT2AMEN1NPC1GAA
SCHEMBL4119116 0.88 ATM (0.35) ATMP2RX7LMNATHRBMAPT
SCHEMBL4123630 0.88 MDM2 (0.38) MDM2RIPK1SMN1; SMN2NOTUMNPC1
SCHEMBL4126577 0.84 MDM2 (0.34) MDM2RIPK1KMT2ANOTUMP2RX7
SCHEMBL4120305 0.82 MDM2 (0.36) MDM2RIPK1KMT2ANOTUMLMNA
SCHEMBL4135345 0.82 P2RX7 (0.36) SMN1; SMN2P2RX7MAPTPDE4BPOLB
SCHEMBL3702435 0.81 RIPK1 (0.36) MDM2RIPK1NOTUM
SCHEMBL4135601 0.80 SMN1; SMN2 (0.34) MDM2RIPK1SMN1; SMN2NPC1RAB9A
SCHEMBL3708990 0.80 P2RX7 (0.39) RIPK1SMN1; SMN2KMT2AMEN1GAA

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 MDM2 4783/4885RIPK1 4203/4885SMN1; SMN2 4327/4885

“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.