SCHEMBL5453566

SCHEMBL5453566

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.39
CYP19A1 P11511 1/20 0.38
ADAMTS5 Q9UNA0 2/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.36
XBP1 P17861 1/20 0.36
DYRK1A Q13627 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 2/20 0.35
TP53 P04637 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 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
SCHEMBL5455854 0.91 ALOX5AP (0.40) HPGDKDM4EALOX5AP
SCHEMBL5450092 0.86 NPC1 (0.37) ALOX5CYP19A1POLBMAPTALDH1A1
SCHEMBL5446190 0.85 SMN1; SMN2 (0.37) ALOX5MAPTALDH1A1HPGDKMT2A
SCHEMBL5450050 0.78 NPC1 (0.41) ALOX5CYP19A1MAPTALDH1A1NPSR1
SCHEMBL5451162 0.77 PGR (0.46) ALOX5CYP19A1POLBMAPTALDH1A1
SCHEMBL4265820 0.76 CDC25A (0.53) POLBMAPTALDH1A1HPGDKMT2A
Diaplasinin SCHEMBL30320322 0.76 PLA2G4A (0.37) MAPTALDH1A1HPGDNPSR1DYRK1A
Diaplasinin SCHEMBL4024262 0.76 PLA2G4A (0.37) MAPTALDH1A1HPGDNPSR1DYRK1A
SCHEMBL5442944 0.75 GRIK1 (0.52) POLBMAPTALDH1A1HPGDNPSR1
SCHEMBL5447364 0.74 PTPN7 (0.56) POLBKMT2AMEN1

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 ALOX5 157/4885CYP19A1 251/4885ADAMTS5 229/4885
US-20060052349-A1 Pyrrolo-naphthyl acids and methods for using them SERPINE1, SERPINC1, SERPINB1 ALOX5 157/4885CYP19A1 251/4885ADAMTS5 229/4885

“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.