SCHEMBL4134986

SCHEMBL4134986

O=C(O)NCCc1cc(Sc2cccc(Br)c2)n(-c2ccccc2Cl)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
CNR1 P21554 4/20 0.34
MAPT P10636 3/20 0.34
ALDH1A1 P00352 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
SLC16A3 O15427 3/20 0.33
SLC16A1 P53985 2/20 0.33
TP53 P04637 2/20 0.33
CNR2 P34972 1/20 0.33
PDE4B Q07343 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
MITF O75030 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
NFKB1 P19838 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
SCHEMBL3708990 0.86 P2RX7 (0.39) SMN1; SMN2RAB9ACNR1MAPTALDH1A1
SCHEMBL4128953 0.85 P2RX7 (0.37) SMN1; SMN2NPC1RAB9ACNR1MAPT
SCHEMBL4140877 0.83 SLC16A3 (0.38) SMN1; SMN2CNR1MAPTALDH1A1SLC16A3
SCHEMBL2838664 0.83 SMN1; SMN2 (0.38) SMN1; SMN2NPC1RAB9ACNR1MAPT
SCHEMBL4120959 0.83 MAPT (0.34) SMN1; SMN2NPC1RAB9ACNR1MAPT
SCHEMBL4135345 0.82 P2RX7 (0.36) SMN1; SMN2CNR1MAPTSLC16A3SLC16A1
SCHEMBL4134984 0.82 SLC16A3 (0.36) MAPTALDH1A1NPSR1SLC16A3SLC16A1
SCHEMBL3701339 0.82 LMNA (0.36) SMN1; SMN2NPC1RAB9ACNR1MAPT
SCHEMBL4130915 0.81 SLC16A3 (0.41) SMN1; SMN2NPC1RAB9ACNR1ALDH1A1
SCHEMBL3692822 0.81 SLC16A3 (0.35) CNR1MAPTALDH1A1NPSR1SLC16A3

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
EP-2190822-B1 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-12-31 EP disclosed
WO-2009041705-A9 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2009-08-13 WO 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 SMN1; SMN2 4327/4885NPC1 53/4885RAB9A 167/4885

“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.