SCHEMBL4495221

SCHEMBL4495221

Nc1cc(F)c(F)c(F)c1-n1cccc1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 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
SCHEMBL30932520 0.75 KDM4E (0.39) ALDH1A1PKMKDM4EGAAMAPT
SCHEMBL30932459 0.75 ALDH1A1 (0.37) ALDH1A1PKMKDM4EGAAMAPT
SCHEMBL9337322 0.75 CA1 (0.31)
SCHEMBL2160895 0.71 POLB (0.30)
SCHEMBL5716054 0.71 ALDH1A1 (0.34) ALDH1A1PKMKDM4EGAAMAPT
SCHEMBL27588107 0.71
SCHEMBL20816325 0.70 ALDH1A1 (0.50) ALDH1A1PKMKDM4EGAAMAPT
SCHEMBL8977414 0.70 KDM4E (0.46) ALDH1A1PKMKDM4EGAAMAPT
SCHEMBL30932472 0.68 KDM4E (0.45) ALDH1A1PKMKDM4EGAAMAPT
SCHEMBL30932473 0.68 ALDH1A1 (0.33) ALDH1A1PKMKDM4EGAAMAPT

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 2 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

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.