SCHEMBL4490813

SCHEMBL4490813

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 2/20 0.39
HCRTR2 O43614 2/20 0.39
HCRTR1 O43613 1/20 0.39
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
PTPN1 P18031 1/20 0.38
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CPS1 P31327 2/20 0.36

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
SCHEMBL4491871 0.89 ALDH1A1 (0.39) RAB9ANPC1GAAHCRTR2HCRTR1
SCHEMBL4490952 0.89 TSHR (0.43) SMN1; SMN2GAAHCRTR2HCRTR1PTPN1
SCHEMBL4487591 0.86 ALDH1A1 (0.40) HSD11B1RAB9ANPC1SMN1; SMN2GAA
SCHEMBL4490943 0.85 ALDH1A1 (0.46) HSD11B1RAB9ANPC1SMN1; SMN2SCN5A
SCHEMBL4860899 0.82 RAB9A (0.44) HSD11B1RAB9ANPC1SMN1; SMN2GAA
SCHEMBL4862053 0.81 USP2 (0.44) HSD11B1RAB9ANPC1SMN1; SMN2GAA
SCHEMBL4503844 0.81 PDK1 (0.48)
SCHEMBL4503005 0.81 PDK1 (0.48)
SCHEMBL4490091 0.77 KMT2A (0.35) SMN1; SMN2ALDH1A1HPGDL3MBTL1
SCHEMBL4863649 0.77 RAB9A (0.43) HSD11B1RAB9ANPC1SMN1; SMN2GAA

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 HSD11B1 654/4885RAB9A 526/4885NPC1 4241/4885

“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.