SCHEMBL4132076

SCHEMBL4132076

CN(Cc1cc(Sc2cccnc2)c(Br)s1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
CLK1 P49759 1/20 0.35
TBXAS1 P24557 2/20 0.35
NR1D1 P20393 1/20 0.35
NR1H3 Q13133 1/20 0.35
PIK3CA P42336 1/20 0.34
PIK3CG P48736 1/20 0.34
CYP2A6 P11509 2/20 0.33
RIPK1 Q13546 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTT P42858 1/20 0.32
ICAM1 P05362 1/20 0.32
SELE P16581 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 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
SCHEMBL3650693 0.86 CLK1 (0.36) CLK1NR1D1NR1H3PIK3CAPIK3CG
SCHEMBL3650699 0.84 NR1D1 (0.32) LMNATBXAS1NR1D1NR1H3PIK3CA
SCHEMBL4132086 0.78 SMN1; SMN2 (0.37) PIK3CAPIK3CGSMN1; SMN2RAB9ANPC1
SCHEMBL3650696 0.75 PIK3CA (0.35) TBXAS1PIK3CAPIK3CGRAB9ANPC1
SCHEMBL4118018 0.75 NAMPT (0.41) LMNATBXAS1NR1D1NR1H3RIPK1
SCHEMBL4139232 0.70 HPGD (0.39) LMNASMN1; SMN2RAB9ANPC1L3MBTL1
SCHEMBL4131558 0.69 AR (0.36) LMNASMN1; SMN2RAB9AL3MBTL1ALDH1A1
SCHEMBL2839636 0.68 MEN1 (0.43) LMNASMN1; SMN2RAB9ANPC1L3MBTL1
SCHEMBL5890987 0.66 LMNA (0.69) LMNACLK1TBXAS1RIPK1SMN1; SMN2
SCHEMBL4132659 0.66 NAMPT (0.39) LMNANR1D1NR1H3ALDH1A1

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 LMNA 4283/4885CLK1 4188/4885TBXAS1 670/4885

“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.