SCHEMBL4500535

SCHEMBL4500535

COc1cccc(C(=O)N2c3cc(Br)ccc3-n3cccc3C2C)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
SCN5A Q14524 1/20 0.41
SCN9A Q15858 1/20 0.41
PTPN1 P18031 1/20 0.41
BCHE P06276 2/20 0.40
ACHE P22303 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.39

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
SCHEMBL4495254 0.89 PTPN1 (0.42) MEN1KMT2ACRHBPCRHR2SCN5A
SCHEMBL4497604 0.88 ALDH1A1 (0.48) MEN1KMT2ACRHBPCRHR2SCN5A
SCHEMBL4490186 0.87 MEN1 (0.45) ELANEMEN1KMT2ASCN5ASCN9A
SCHEMBL4494703 0.87 ELANE (0.43) ELANEMEN1KMT2ASCN5ASCN9A
SCHEMBL4501832 0.86 PTPN2 (0.36) MEN1KMT2APTPN1BCHEKDM4E
SCHEMBL4494662 0.84 PTPN1 (0.42) SCN5ASCN9APTPN1KDM4ETP53
SCHEMBL4482045 0.81 KMT2A (0.43) MEN1KMT2ACRHBPCRHR2SCN5A
SCHEMBL4503738 0.77 ALDH1A1 (0.44) MEN1KMT2ASCN5ASCN9APTPN1
SCHEMBL4498465 0.76 MAPK1 (0.38) MEN1KMT2ASCN5ASCN9APTPN1
SCHEMBL4496967 0.76 P2RY1 (0.40) MEN1KMT2ASCN5ASCN9APTPN1

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 3383/4885MEN1 2574/4885KMT2A 860/4885

“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.