SCHEMBL4491871

SCHEMBL4491871

CCC1c2cccn2-c2ccc(Br)cc2N1C(=O)c1ccc(OC)cc1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
MAPK1 P28482 2/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
PARP15 Q460N3 1/20 0.38
PTPN1 P18031 1/20 0.38
RAB9A P51151 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
NPC1 O15118 2/20 0.37
MAPT P10636 1/20 0.37
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
HTT P42858 1/20 0.35
TSHR P16473 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
SCHEMBL4490813 0.89 HSD11B1 (0.42) ALDH1A1GAAMAPK1HPGDPTPN1
SCHEMBL4490952 0.89 TSHR (0.43) ALDH1A1GAAPTPN1MAPTKDM4E
SCHEMBL4494662 0.87 PTPN1 (0.42) ALDH1A1GAAMAPK1TP53HPGD
SCHEMBL4496967 0.86 P2RY1 (0.40) MAPK1TP53PTPN1RAB9ATDP1
SCHEMBL4495273 0.85 MAPK1 (0.39) ALDH1A1GAAMAPK1TP53HPGD
SCHEMBL4494703 0.85 ELANE (0.43) ALDH1A1GAAMAPK1TP53HPGD
SCHEMBL4490842 0.81 PDK1 (0.48) GAARAB9ANPC1MAPT
SCHEMBL4497376 0.77 P2RY1 (0.37) ALDH1A1GAAMAPK1HPGDRAB9A
SCHEMBL4487591 0.75 ALDH1A1 (0.40) ALDH1A1GAAMAPK1TP53PTPN1
SCHEMBL4490943 0.73 ALDH1A1 (0.46) ALDH1A1HPGDRAB9ANPC1SCN5A

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 ALDH1A1 2755/4885GAA 4393/4885MAPK1 1575/4885

“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.