Sugi Predict

Sugi Predict / Compounds / SCHEMBL4496497

SCHEMBL4496497

SCHEMBL4496497

CCC1c2cccn2-c2ccc(Br)cc2N1C(=O)c1cccc(O)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MGLL Q99685 5/20 0.34
▸ AKR1C4 P17516 1/20 0.34
▸ AKR1C3 P42330 1/20 0.34
▸ AKR1C2 P52895 1/20 0.34
▸ AKR1C1 Q04828 1/20 0.34
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ P4HB P07237 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ BCHE P06276 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ PLAU P00749 1/20 0.32

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
SCHEMBL4494728 0.89 P2RY1 (0.37) ALDH1A1HPGDTSHRMAPTRECQL
SCHEMBL4497376 0.89 P2RY1 (0.37) ALDH1A1HPGDTSHRMAPTRECQL
SCHEMBL4492423 0.89 P2RY1 (0.37) ALDH1A1HPGDTSHRMAPTRECQL
SCHEMBL4498568 0.88 MGLL (0.35) MGLLMAPTMEN1KMT2ALMNA
SCHEMBL4499655 0.88 MGLL (0.35) MGLLMAPTMEN1KMT2ALMNA
SCHEMBL4502884 0.88 MGLL (0.35) MGLLMAPTMEN1KMT2ALMNA
SCHEMBL4494703 0.87 ELANE (0.43) ALDH1A1TP53HPGDMAPTMEN1
SCHEMBL4501832 0.86 PTPN2 (0.36) ALDH1A1TP53MGLLAKR1C4AKR1C3
SCHEMBL4487666 0.86 PTPN2 (0.36) ALDH1A1TP53MGLLAKR1C4AKR1C3
SCHEMBL4494467 0.86 PTPN2 (0.36) ALDH1A1TP53MGLLAKR1C4AKR1C3

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 5 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 claimed
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 claimed
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 claimed
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

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 2755/4885TP53 769/4885MGLL 4656/4885

“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.