SCHEMBL12952811

SCHEMBL12952811

Cc1cc(C)cc(COc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2[N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.47
PTGER4 P35408 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SCN10A Q9Y5Y9 4/20 0.40
HPGD P15428 1/20 0.40
MRGPRX4 Q96LA9 2/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
GRIN2B Q13224 1/20 0.39

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
SCHEMBL1242773 0.85 ALDH1A1 (0.44) PPARDMAPTALDH1A1LMNAHPGD
SCHEMBL1242500 0.81 MAPT (0.53) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL1241631 0.81 SMN1; SMN2 (0.55) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL12952725 0.80 PPARD (0.48) PPARDPTGER4SCN10AMRGPRX4GRIN2B
SCHEMBL1239777 0.80 SMN1; SMN2 (0.53) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL2536653 0.80 PPARD (0.48) PPARDPTGER4MAPTALDH1A1SCN10A
SCHEMBL12890141 0.80 PDGFRB (0.50) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL13581035 0.79 RAB9A (0.42) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL13581020 0.79 SMN1; SMN2 (0.52) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL13580974 0.79 ALDH1A1 (0.43) NPC1RAB9AMAPTALDH1A1LMNA

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
US-8633245-B2 PAI-1 inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2014-01-21 US disclosed
US-8633245-B2 PAI-1 inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2014-01-21 US disclosed
EP-2272817-A1 PAI-1 INHIBITOR Institute of Medicinal Molecular Design, Inc. (JP) 2011-01-12 EP disclosed
US-20090312315-A1 PAI-1 INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-12-17 US disclosed
US-20090312315-A1 PAI-1 INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-12-17 US disclosed
WO-2009125606-A1 PAI-1 INHIBITOR 株式会社医薬分子設計研究所 (JP) 2009-10-15 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-20090312315-A1 PAI-1 INHIBITOR SERPINC1, SERPINE1, SERPINH1 PPARD 3616/4885PTGER4 1401/4885NPC1 3121/4885

“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.