SCHEMBL4487591

SCHEMBL4487591

CCC1c2cccn2-c2ccc(F)cc2N1C(=O)c1ccc(OC)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
P2RY1 P47900 2/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
HSD11B1 P28845 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTPN1 P18031 1/20 0.38
NQO2 P16083 1/20 0.38
PTGER2 P43116 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 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
SCHEMBL4490943 0.90 ALDH1A1 (0.46) ALDH1A1LMNATSHRHTTSMN1; SMN2
SCHEMBL4490091 0.89 KMT2A (0.35) ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL4489220 0.89 KMT2A (0.35) ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL4489137 0.89 KMT2A (0.35) ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL4496967 0.88 P2RY1 (0.40) LMNAP2RY1RAB9AKDM4EGLA
SCHEMBL4503738 0.86 ALDH1A1 (0.44) ALDH1A1LMNAP2RY1TSHRHTT
SCHEMBL4490813 0.86 HSD11B1 (0.42) ALDH1A1HTTSMN1; SMN2NPC1GAA
SCHEMBL4499655 0.82 MGLL (0.35) LMNAGAA
SCHEMBL4502884 0.82 MGLL (0.35) LMNAGAA
SCHEMBL4498568 0.82 MGLL (0.35) LMNAGAA

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 2755/4885LMNA 3776/4885P2RY1 711/4885

“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.