SCHEMBL4132086

SCHEMBL4132086

O=C(O)NCCc1cc(Sc2cccnc2)c(Br)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.37
ALDH1A1 P00352 5/20 0.37
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HTT P42858 2/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CG P48736 1/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PTGFR P43088 2/20 0.34

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
SCHEMBL4132076 0.78 LMNA (0.37) SMN1; SMN2ALDH1A1NPC1RAB9AHTT
SCHEMBL3650696 0.77 PIK3CA (0.35) ALDH1A1NPC1RAB9APIK3CAPIK3CG
SCHEMBL4118026 0.75 NAMPT (0.38) SMN1; SMN2ALDH1A1NPC1RAB9AKMT2A
SCHEMBL3650699 0.74 NR1D1 (0.32) ALDH1A1NPC1RAB9ATDP1PIK3CA
SCHEMBL4139239 0.70 CA2 (0.37) SMN1; SMN2ALDH1A1NPC1RAB9AKMT2A
SCHEMBL4131563 0.68 NAPRT (0.35) NPC1RAB9AKMT2AMEN1
SCHEMBL4132664 0.67 NAMPT (0.38) SMN1; SMN2ALDH1A1NPC1RAB9AKMT2A
SCHEMBL3558312 0.66 MEN1 (0.63) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL30208757 0.66 MEN1 (0.63) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL2837809 0.65 MTNR1A (0.44) ALDH1A1KMT2A

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 SMN1; SMN2 4327/4885ALDH1A1 1497/4885NPC1 53/4885

“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.