SCHEMBL5100451

SCHEMBL5100451

Cc1cc(N(C)c2nccc(Nc3cc(OCc4cccc(C(=O)O)c4)n[nH]3)n2)on1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 18/20 0.38
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
TP53 P04637 2/20 0.35
PKM P14618 2/20 0.35
NFKB1 P19838 2/20 0.35
NFKB2 Q00653 2/20 0.35
RELA Q04206 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RAB9A P51151 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
Hydrochloric Acid SCHEMBL5110836 0.99 MRGPRX4 (0.37) MRGPRX4CYP4F2CYP4A11TP53PKM
SCHEMBL5110696 0.92 CYP4F2 (0.40) MRGPRX4CYP4F2CYP4A11SMN1; SMN2RAB9A
Hydrochloric Acid SCHEMBL5100251 0.92 ROCK1 (0.38) MRGPRX4SMN1; SMN2RAB9A
SCHEMBL5109591 0.90 SIRT2 (0.35)
SCHEMBL5103500 0.88 NPC1 (0.43) MRGPRX4TP53SMN1; SMN2RAB9A
SCHEMBL5100446 0.83 IGF1R (0.54) MRGPRX4RAB9A
Hydrochloric Acid SCHEMBL5110827 0.82 IGF1R (0.53) MRGPRX4RAB9A
SCHEMBL4007933 0.79 FGFR1 (0.37) CYP4F2CYP4A11SMN1; SMN2
SCHEMBL5096876 0.77 FGFR1 (0.40)
SCHEMBL4014149 0.74 FGFR1 (0.51) SMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080004302-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-01-03 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-20080004302-A1 Novel Compounds CYP11B2, CYP11B1, CYP46A1 MRGPRX4 131/4885CYP4F2 35/4885CYP4A11 11/4885

“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.