SCHEMBL957915

SCHEMBL957915

O=C(O)c1cncc(-c2cccc(Oc3ccc(Cl)cc3Cl)n2)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.50
TTR P02766 2/20 0.45
PTGER1 P34995 3/20 0.43
TBXA2R P21731 1/20 0.43
PLA2G1B P04054 1/20 0.40
MAPT P10636 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
ALPL P05186 2/20 0.39
SCN9A Q15858 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CHRM1 P11229 1/20 0.39
CNR1 P21554 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL959319 0.89 MRGPRX4 (0.61) MRGPRX4TTRPTGER1PLA2G1BMAPT
SCHEMBL958350 0.86 MAPT (0.49) MRGPRX4MAPTALPLALDH1A1POLB
SCHEMBL958289 0.84 KDR (0.50) MRGPRX4ALPLGAA
SCHEMBL958823 0.83 MRGPRX4 (0.49) MRGPRX4TTRPTGER1PLA2G1BMAPT
SCHEMBL962542 0.81 KDR (0.43) MRGPRX4ALDH1A1GAA
SCHEMBL959429 0.80 MRGPRX4 (0.49) MRGPRX4PTGER1SCN9AALDH1A1POLB
SCHEMBL958072 0.79 L3MBTL1 (0.51) MRGPRX4TTRMAPTALDH1A1GAA
SCHEMBL959343 0.78 MRGPRX4 (0.53) MRGPRX4TTRPTGER1PLA2G1BMAPT
SCHEMBL958590 0.77 MRGPRX4 (0.52) MRGPRX4TTRPTGER1PLA2G1BMAPT
SCHEMBL14017654 0.75 GRM5 (0.48) MRGPRX4HCAR2CYP2C9

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
US-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
EP-2253618-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING Takeda Pharmaceutical Company Limited (JP) 2010-11-24 EP 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-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING GPR4, NR3C2, NR5A2 MRGPRX4 133/4885TTR 4594/4885PTGER1 678/4885

“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.