SCHEMBL5455854

SCHEMBL5455854

FC(F)(F)c1ccc(Cn2c(-c3ccccc3)ccc2-c2ccc3cc(OCc4nnn[nH]4)ccc3c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 12/20 0.40
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
CFTR P13569 1/20 0.35
BACE1 P56817 1/20 0.35
PPARD Q03181 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
SCHEMBL5453566 0.91 ALOX5 (0.39) ALOX5APKDM4EHPGD
SCHEMBL5447426 0.80 PGR (0.39) ALOX5APMAOAMAOBCFTRBACE1
SCHEMBL5450092 0.80 NPC1 (0.37) KDM4EHPGD
SCHEMBL5455835 0.79 NR4A2 (0.48) MAOBPPARD
SCHEMBL5446190 0.79 SMN1; SMN2 (0.37) KDM4EHPGD
SCHEMBL5451042 0.79 GRIK1 (0.44) KDM4EHPGDMAOBBACE1
SCHEMBL5442874 0.78 PPARD (0.50) ALOX5APBACE1PPARD
SCHEMBL5446217 0.76 ESR1 (0.46) CFTRBACE1
SCHEMBL5455844 0.76 SLC6A5 (0.46) ALOX5APMAOBPPARD
SCHEMBL5455811 0.75 RXRA (0.46) ALOX5APPPARD

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 10 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 claimed
EP-1781641-A1 PYRROLO-NAPHTHYL ACIDS AS PAI-1 INHIBITORS Wyeth (US) 2007-05-09 EP claimed
US-7186749-B2 Pyrrolo-naphthyl acids and methods for using them WYETH (US) 2007-03-06 US claimed
US-20060052349-A1 Pyrrolo-naphthyl acids and methods for using them WYETH (US) 2006-03-09 US claimed
WO-2006023864-A1 PYRROLO-NAPHTHYL ACIDS AS PAI-1 INHIBITORS WYETH (US) 2006-03-02 WO claimed
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 ALOX5AP 492/4885KDM4E 4667/4885HPGD 27/4885
US-20060052349-A1 Pyrrolo-naphthyl acids and methods for using them SERPINE1, SERPINC1, SERPINB1 ALOX5AP 492/4885KDM4E 4667/4885HPGD 27/4885

“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.