SCHEMBL4506284

SCHEMBL4506284

Nc1cc(Br)ccc1-n1cccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
PKM P14618 1/20 0.56
KDM4E B2RXH2 4/20 0.54
GAA P10253 1/20 0.54
LMNA P02545 2/20 0.42
TSHR P16473 3/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 6/20 0.36
GLA P06280 1/20 0.34
POLB P06746 1/20 0.34
GPR35 Q9HC97 1/20 0.33
CYP2A6 P11509 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 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
SCHEMBL30963680 0.83 KDM4E (0.54) ALDH1A1PKMKDM4EGAALMNA
SCHEMBL13082241 0.78 ALDH1A1 (0.60) ALDH1A1PKMKDM4EGAALMNA
SCHEMBL1239654 0.76 IDO1 (0.53) ALDH1A1GAALMNAKMT2AMEN1
SCHEMBL11826455 0.75 ALDH1A1 (0.56) ALDH1A1PKMKDM4EGAALMNA
SCHEMBL20816327 0.75 ALDH1A1 (0.61) ALDH1A1PKMKDM4EGAALMNA
SCHEMBL18036128 0.75 NPC1 (0.50) ALDH1A1PKMKDM4EGAALMNA
SCHEMBL11831650 0.75 ALDH1A1 (0.56) ALDH1A1PKMKDM4EGAALMNA
SCHEMBL20816319 0.75 ALDH1A1 (0.56) ALDH1A1PKMKDM4EGAALMNA
SCHEMBL30758084 0.75 ALDH1A1 (0.61) ALDH1A1PKMKDM4EGAALMNA
SCHEMBL22636760 0.72 ALDH1A1 (0.44) ALDH1A1PKMKDM4EGAALMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119874712-A Pyrrolo-quinoxaline-triphenylamine electroactive material and synthesis and application thereof 陕西理工大学 2025-04-25 CN disclosed
CN-119504773-A Pyrrolo-quinoxaline fused aza-saccharide derivative, synthetic method and application 河北大学 2025-02-25 CN disclosed
CN-117551121-A 4, 5-dihydropyrroloquinoxaline carborane derivative, and preparation method and application thereof 郑州原理生物科技有限公司 2024-02-13 CN disclosed
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 2755/4885PKM 1830/4885KDM4E 90/4885

“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.