SCHEMBL2689662

SCHEMBL2689662

NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 8/20 0.72
MKNK1 Q9BUB5 4/20 0.61
MKNK2 Q9HBH9 4/20 0.61
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA12 O43570 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
CES2 O00748 1/20 0.54
CES1 P23141 1/20 0.54
CHEK2 O96017 1/20 0.53
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
IKBKB O14920 1/20 0.50

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
SCHEMBL29959902 0.93 MAP4K4 (0.62) MAP4K4MKNK1MKNK2CA1CA2
SCHEMBL77931 0.93 MAP4K4 (0.62) MAP4K4MKNK1MKNK2CA1CA2
Hydrochloric Acid SCHEMBL28021646 0.90 MAP4K4 (0.60) MAP4K4MKNK1MKNK2CA1CA2
Bromide SCHEMBL28799121 0.90 MAP4K4 (0.60) MAP4K4MKNK1MKNK2CA1CA2
Iodide SCHEMBL19056893 0.90 MAP4K4 (0.60) MAP4K4MKNK1MKNK2CA1CA2
Hydrochloric Acid SCHEMBL409480 0.90 MAP4K4 (0.60) MAP4K4MKNK1MKNK2CA1CA2
Hydrochloric Acid SCHEMBL3772040 0.90 MAP4K4 (0.60) MAP4K4MKNK1MKNK2CA1CA2
Nitrogen SCHEMBL27780715 0.88 MAP4K4 (0.58) MAP4K4MKNK1MKNK2CA1CA2
SCHEMBL1002578 0.87 CA2 (0.67) MAP4K4MKNK1MKNK2CA1CA2
SCHEMBL5952278 0.85 RXRA (0.68) MAP4K4MKNK1MKNK2CA1CA2

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-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US claimed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US claimed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP claimed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US claimed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 WO claimed
CN-115872947-B Benzisothiazole benzamide compound or pharmaceutically acceptable salt thereof, preparation method and application 中国药科大学 2024-04-19 CN disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-05-03 US disclosed
EP-2298790-A1 Daptomycin analogs as antibacterial agents Cubist Pharmaceuticals, Inc. (US) 2011-03-23 EP disclosed
US-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
US-7473671-B2 Glycopeptide antibiotics, combinatorial libraries of glycopeptide antibiotics and methods of producing same THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2009-01-06 US disclosed
US-7473671-B2 Glycopeptide antibiotics, combinatorial libraries of glycopeptide antibiotics and methods of producing same THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2009-01-06 US disclosed
US-7331920-B2 Glycopeptide antibiotics, combinational libraries of glycopeptide antibiotics and methods of producing same THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2008-02-19 US disclosed
EP-1884520-A2 Daptomycin analogs as antibacterial agents Cubist Pharmaceuticals, Inc. (US) 2008-02-06 EP disclosed
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US disclosed
US-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-01 US disclosed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US disclosed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP disclosed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US disclosed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 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 (4 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-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 MAP4K4 50/4885MKNK1 347/4885MKNK2 309/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A MAP4K4 61/4885MKNK1 408/4885MKNK2 430/4885
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR POLR1C, POLR2E, POLR2H MAP4K4 3208/4885MKNK1 3832/4885MKNK2 3783/4885
US-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MC4R, MCHR2 MAP4K4 3543/4885MKNK1 2908/4885MKNK2 2390/4885

“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.