SCHEMBL4494703

SCHEMBL4494703

CCC1c2cccn2-c2ccc(Br)cc2N1C(=O)c1cccc(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.43
LMNA P02545 2/20 0.40
GRIN2C Q14957 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL4496967 0.90 P2RY1 (0.40) LMNAGRIN2CKDM4ETP53SCN5A
SCHEMBL4490943 0.88 ALDH1A1 (0.46) LMNAKDM4ESCN5ASCN9AHPGD
SCHEMBL4496497 0.87 ALDH1A1 (0.34) LMNAKDM4ETP53HPGDMEN1
SCHEMBL4500535 0.87 ELANE (0.43) ELANELMNAKDM4ETP53SCN5A
SCHEMBL4491871 0.85 ALDH1A1 (0.39) GRIN2CKDM4ETP53SCN5ASCN9A
SCHEMBL4490186 0.84 MEN1 (0.45) ELANELMNAKDM4ETP53SCN5A
SCHEMBL4494728 0.83 P2RY1 (0.37) KDM4ESCN5ASCN9AHPGDMEN1
SCHEMBL4497376 0.83 P2RY1 (0.37) KDM4ESCN5ASCN9AHPGDMEN1
SCHEMBL4487591 0.78 ALDH1A1 (0.40) LMNAKDM4ETP53SCN5ASCN9A
SCHEMBL4504361 0.77 PTPN1 (0.36) LMNAKDM4EALDH1A1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7563793-B2 Pyrrolo[1,2-a]quinoxalin-5-(4H)-yl)sulfonyls and carbonyls and their use as estrogenic agents WYETH (US) 2009-07-21 US disclosed
US-20060160815-A1 Pyrrolo[1,2-a]quinoxalin-5-(4H)-yl)sulfonyls and carbonyls and their use as estrogenic agents WYETH (US) 2006-07-20 US disclosed
WO-2006068928-A1 PYRROLO[1,2-A]QUINOXALIN-5-(4H)-YL)SULFONYLS AND CARBONYLS AND THEIR USE AS ESTROGENIC AGENTS WYETH (US) 2006-06-29 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-20060160815-A1 Pyrrolo[1,2-a]quinoxalin-5-(4H)-yl)sulfonyls and carbonyls and their use as estrogenic agents ESR1, GPER1, ESR2 ELANE 3383/4885LMNA 3776/4885GRIN2C 1257/4885

“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.