SCHEMBL5451162

SCHEMBL5451162

N#CCOc1ccc2cc(-c3ccc(-c4ccccc4)n3Cc3ccccc3)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 5/20 0.46
BACE1 P56817 4/20 0.39
ALOX5 P09917 1/20 0.38
APP P05067 1/20 0.38
BACE2 Q9Y5Z0 1/20 0.38
CASR P41180 1/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
AR P10275 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
CYP19A1 P11511 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
PPARG P37231 1/20 0.35
NCOA2 Q15596 1/20 0.35

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
SCHEMBL5447426 0.89 PGR (0.39) PGRBACE1PPARGMAPT
SCHEMBL5457662 0.84 PSEN1 (0.40) PGRBACE1ALOX5PSEN1PSEN2
SCHEMBL5448815 0.82 ADORA2A (0.39) BACE1ALOX5PSEN1PSEN2APH1B
SCHEMBL5442944 0.81 GRIK1 (0.52) BACE1APPNPSR1KDM4EALDH1A1
SCHEMBL5447364 0.81 PTPN7 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5453566 0.77 ALOX5 (0.39) PGRALOX5NPSR1CYP19A1KDM4E
SCHEMBL5535418 0.75 PGR (0.46) PGRBACE1APPARNPSR1
SCHEMBL5448832 0.75 ESR2 (0.56) PGRCYP19A1KDM4EALDH1A1HPGD
SCHEMBL5444129 0.73 PPARG (0.63) PPARG
SCHEMBL5447485 0.73 MAOB (0.38) PGRALOX5PSEN1PSEN2APH1B

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-20070123495-A1 PYRROLO-NAPHTHYL ACIDS AND METHODS FOR USING THEM WYETH (US) 2007-05-31 US disclosed
EP-1781641-A1 PYRROLO-NAPHTHYL ACIDS AS PAI-1 INHIBITORS Wyeth (US) 2007-05-09 EP disclosed
US-7186749-B2 Pyrrolo-naphthyl acids and methods for using them WYETH (US) 2007-03-06 US disclosed
US-20060052349-A1 Pyrrolo-naphthyl acids and methods for using them WYETH (US) 2006-03-09 US disclosed
WO-2006023864-A1 PYRROLO-NAPHTHYL ACIDS AS PAI-1 INHIBITORS WYETH (US) 2006-03-02 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 (2 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-20070123495-A1 PYRROLO-NAPHTHYL ACIDS AND METHODS FOR USING THEM SERPINE1, SERPINC1, SERPINB1 PGR 669/4885BACE1 1848/4885ALOX5 157/4885
US-20060052349-A1 Pyrrolo-naphthyl acids and methods for using them SERPINE1, SERPINC1, SERPINB1 PGR 669/4885BACE1 1848/4885ALOX5 157/4885

“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.