SCHEMBL1241524

SCHEMBL1241524

Nc1cccc(-c2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.54
▸ BCR P11274 1/20 0.54
▸ MAOA P21397 1/20 0.53
▸ SCN5A Q14524 2/20 0.48
▸ CA12 O43570 2/20 0.46
▸ CA9 Q16790 2/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ MAP4K4 O95819 2/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.43
▸ CYP17A1 P05093 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP19A1 P11511 1/20 0.42
▸ CYP11B1 P15538 1/20 0.42
▸ CYP11B2 P19099 1/20 0.42
▸ AURKA O14965 1/20 0.42
▸ TPX2 Q9ULW0 1/20 0.42
▸ F9 P00740 1/20 0.42
▸ KIF11 P52732 1/20 0.41
▸ TSHR P16473 1/20 0.41

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
SCHEMBL30363971 1.00 ABL1 (0.54) ABL1BCRMAOASCN5ACA12
SCHEMBL21770975 0.87 XDH (0.51) ABL1BCRMAOAMAP4K4CYP3A4
SCHEMBL29628993 0.87 SCN5A (0.54) ABL1BCRSCN5ACA12CA9
SCHEMBL1337217 0.82 TAAR1 (0.52) TAAR1CYP3A4KIF11
SCHEMBL1242144 0.81 KIF11 (0.52) SCN5ATAAR1CYP3A4AURKATPX2
SCHEMBL1271679 0.79 MAOA (0.64) MAOACA12CA9CA1CA2
SCHEMBL1523 0.79 CYP3A4 (0.54) ABL1BCRSCN5ACYP3A4KIF11
Hydrochloric Acid SCHEMBL29386875 0.79 KIF11 (0.50) SCN5ACYP3A4AURKATPX2KIF11
SCHEMBL29366090 0.79 CYP3A4 (0.54) ABL1BCRSCN5ACYP3A4KIF11
SCHEMBL1241773 0.79 MAOB (0.63) ABL1BCRMAOASCN5ACYP3A4

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 23 patents — showing the first 20. 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
WO-2012131501-A1 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS AS COT KINASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2012-10-04 — — WO disclosed
US-7884234-B2 N-[4-(tert-butyl)benzyl]-N-[4 -(trifluoromethoxy)biphenyl-3-yl]oxamic Acid; Inhibitors of plasminogen activator inhibitor-1 (PAI-1); thrombogenesis, fibrogenesis, accumulation of visceral fat, cell proliferation, angiogenesis INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2011-02-08 — — US disclosed
US-7884234-B2 N-[4-(tert-butyl)benzyl]-N-[4 -(trifluoromethoxy)biphenyl-3-yl]oxamic Acid; Inhibitors of plasminogen activator inhibitor-1 (PAI-1); thrombogenesis, fibrogenesis, accumulation of visceral fat, cell proliferation, angiogenesis INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2011-02-08 — — US disclosed
US-7884234-B2 N-[4-(tert-butyl)benzyl]-N-[4 -(trifluoromethoxy)biphenyl-3-yl]oxamic Acid; Inhibitors of plasminogen activator inhibitor-1 (PAI-1); thrombogenesis, fibrogenesis, accumulation of visceral fat, cell proliferation, angiogenesis INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2011-02-08 — — 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
US-20090203585-A1 CAPREOMYCIN DERIVATIVES AND THEIR USE AS ANTIBACTERIALS ARRAY BIOPHARMA, INC. 2009-08-13 — — US disclosed
EP-2072498-A1 N-PHENYLOXAMIDIC ACID DERIVATIVE Institute of Medicinal Molecular Design, Inc. (JP) 2009-06-24 — — EP disclosed
US-20080249175-A1 N-Phenyloxamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-10-09 — — US disclosed
US-20080249175-A1 N-Phenyloxamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-10-09 — — US disclosed
WO-2007130743-A2 CAPREOMYCIN DERIVATIVES AND THEIR USE AS ANTIBACTERIALS ARRAY BIOPHARMA, INC. (US) 2007-11-15 — — WO disclosed
US-7294616-B2 Capreomycin derivatives and their use as antibacterials ARRAY BIOPHARMA, INC. (US) 2007-11-13 — — US disclosed
WO-2006052499-A1 CAPREOMYCIN DERIVATIVES AND THEIR USE AS ANTIBACTERIALS ARRAY BIOPHARMA, INC. (US) 2006-05-18 — — WO disclosed
US-20060094644-A1 Capreomycin derivatives and their use as antibacterials ARRAY BIOPHARMA, INC. 2006-05-04 — — US disclosed
US-20020177594-A1 Inhibitors of histone deacetylase ABBOTT LABORATORIES 2002-11-28 — — US disclosed
US-20020103192-A1 Inhibitors of histone deacetylase ABBOTT LABORATORIES 2002-08-01 — — 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 (6 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-20080249175-A1 N-Phenyloxamide derivatives SERPINE1, SERPINH1, F12 ABL1 3591/4885BCR 3261/4885MAOA 107/4885
US-20020103192-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC4 ABL1 2882/4885BCR 2210/4885MAOA 2336/4885
US-20090203585-A1 CAPREOMYCIN DERIVATIVES AND THEIR USE AS ANTIBACTERIALS CAPRIN1, NISCH, RPIA ABL1 3154/4885BCR 2362/4885MAOA 2554/4885
US-20020177594-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC3 ABL1 2795/4885BCR 3462/4885MAOA 1132/4885
US-20060094644-A1 Capreomycin derivatives and their use as antibacterials SPOUT1, CAPRIN1, FBL ABL1 3839/4885BCR 3450/4885MAOA 1940/4885
US-20090312315-A1 PAI-1 INHIBITOR SERPINC1, SERPINE1, SERPINH1 ABL1 3997/4885BCR 3680/4885MAOA 343/4885

“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.

Send feedback