SCHEMBL5952278

SCHEMBL5952278

NC(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.68
RXRB P28702 2/20 0.68
MKNK1 Q9BUB5 5/20 0.66
MKNK2 Q9HBH9 5/20 0.66
MAP4K4 O95819 7/20 0.61
ERN1 O75460 2/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
PARP1 P09874 1/20 0.48
DHODH Q02127 1/20 0.47

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
SCHEMBL2689662 0.85 MAP4K4 (0.72) MKNK1MKNK2MAP4K4CA12CA1
SCHEMBL12607545 0.84 MKNK1 (0.54) RXRARXRBMKNK1MKNK2MAP4K4
SCHEMBL27998215 0.84 MKNK1 (0.62) MKNK1MKNK2MAP4K4ERN1CA12
SCHEMBL2690729 0.82 NPC1 (0.64) MKNK1MKNK2MAP4K4NPC1RAB9A
SCHEMBL1002578 0.82 CA2 (0.67) MKNK1MKNK2MAP4K4ERN1CA12
SCHEMBL412461 0.81 RXRA (1.00) RXRARXRBMAP4K4ERN1
SCHEMBL30837227 0.79 RXRA (0.68) RXRARXRBMKNK1MKNK2NPC1
SCHEMBL17485202 0.79 DHODH (0.66) RXRARXRBMKNK1MKNK2MAP4K4
SCHEMBL29291743 0.79 RXRA (0.61) RXRARXRBMKNK1MKNK2MAP4K4
SCHEMBL8297932 0.77 MAP4K4 (0.54) MKNK1MKNK2MAP4K4ERN1CA12

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 11 patents. 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
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 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 (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-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 RXRA 4143/4885RXRB 3992/4885MKNK1 347/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A RXRA 4349/4885RXRB 4279/4885MKNK1 408/4885

“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.