SCHEMBL4490952

SCHEMBL4490952

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 4/20 0.39
HCRTR1 O43613 2/20 0.39
HCRTR2 O43614 2/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PTPN1 P18031 1/20 0.38

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) TSHRMAPTHCRTR1HCRTR2KDM4E
SCHEMBL4490813 0.89 HSD11B1 (0.42) SMN1; SMN2HCRTR1HCRTR2KDM4EGAA
SCHEMBL4506229 0.81 PDK1 (0.42) PTPN1
SCHEMBL4494662 0.76 PTPN1 (0.42) TSHRMAPTHCRTR1HCRTR2KDM4E
SCHEMBL4487591 0.75 ALDH1A1 (0.40) TSHRSMN1; SMN2KDM4EGAAALDH1A1
SCHEMBL4495273 0.74 MAPK1 (0.39) TSHRKMT2AMEN1MAPTHCRTR1
SCHEMBL4860899 0.70 RAB9A (0.44) SMN1; SMN2MAPTHCRTR1HCRTR2GAA
SCHEMBL4862053 0.69 USP2 (0.44) SMN1; SMN2MAPTHCRTR1HCRTR2GAA
SCHEMBL4509898 0.69 PDK1 (0.48)
SCHEMBL3856380 0.67 RAB9A (0.43) SMN1; SMN2MAPTHCRTR1HCRTR2GAA

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 TSHR 224/4885SMN1; SMN2 4411/4885KMT2A 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.