SCHEMBL6490916

SCHEMBL6490916

N#Cc1ccc(OCc2ccccc2)c(C(N)C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.50
MAOB P27338 1/20 0.48
PTGER1 P34995 1/20 0.47
PPIA P62937 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
SGMS2 Q8NHU3 2/20 0.44
XDH P47989 1/20 0.44
GPR34 Q9UPC5 1/20 0.43
SLC6A9 P48067 1/20 0.42
SLC6A5 Q9Y345 1/20 0.42
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL7114833 0.85 MRGPRX4 (0.53) MRGPRX4MAOBPTGER1PPIAPTGDR2
Hydrochloric Acid SCHEMBL7526696 0.84 MRGPRX4 (0.52) MRGPRX4MAOBPTGER1PPIAPTGDR2
SCHEMBL6323971 0.84 MRGPRX4 (0.49) MRGPRX4MAOBPTGER1PPIAPTGDR2
SCHEMBL6555786 0.83 MAOB (0.51) MRGPRX4MAOBPTGER1SGMS2ALDH1A1
Hydrochloric Acid SCHEMBL6834965 0.83 MRGPRX4 (0.48) MRGPRX4MAOBPTGER1PPIAPTGDR2
SCHEMBL6330288 0.82 MAOB (0.50) MRGPRX4MAOBPTGER1SGMS2GPR34
SCHEMBL7123429 0.81 MRGPRX4 (0.51) MRGPRX4MAOBPTGER1PPIAPTGDR2
SCHEMBL7369714 0.81 LTA4H (0.51) MRGPRX4MAOBPTGER1PPIAPTGDR2
SCHEMBL7117529 0.80 MRGPRX4 (0.53) MRGPRX4MAOBPTGER1PPIAPTGDR2
SCHEMBL6834962 0.80 MRGPRX4 (0.50) MRGPRX4MAOBPTGER1PPIAPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6916805-B2 Quinoxalinones as serine protease inhibitors WARNER-LAMBERT COMPANY LLC (US) 2005-07-12 US disclosed
US-20020086866-A1 Quinoxalinones as serine protease inhibitors DUDLEY DANETTE ANDREA (US) 2002-07-04 US disclosed
US-6410536-B1 ANTICOAGULANTS WARNER-LAMBERT COMPANY 2002-06-25 US disclosed
EP-1068190-A1 QUINOXALINONES AS SERINE PROTEASE INHIBITORS SUCH AS FACTOR XA AND THROMBIN WARNER-LAMBERT COMPANY LLC (US) 2001-01-17 EP disclosed
WO-1999050254-A1 QUINOXALINONES AS SERINE PROTEASE INHIBITORS SUCH AS FACTOR XA AND THROMBIN WARNER-LAMBERT COMPANY (US) 1999-10-07 WO 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-20020086866-A1 Quinoxalinones as serine protease inhibitors HABP2, SERPINB1, PRSS1 MRGPRX4 821/4885MAOB 551/4885PTGER1 2211/4885

“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.