SCHEMBL11949055

SCHEMBL11949055

CCN(CC)c1cc2[nH]c(-c3ccccc3OC)nc2cc1NC(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 2/20 0.47
▸ BRAF P15056 2/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ AAK1 Q2M2I8 2/20 0.46
▸ PDE4A P27815 2/20 0.43
▸ PDE4B Q07343 2/20 0.43
▸ PDE4C Q08493 2/20 0.43
▸ PDE4D Q08499 2/20 0.43
▸ ABL1 P00519 1/20 0.42
▸ TACR3 P29371 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ PDE5A O76074 2/20 0.40
▸ BRPF1 P55201 1/20 0.40
▸ CASP3 P42574 1/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ KLKB1 P03952 1/20 0.39
▸ F7 P08709 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
SCHEMBL11948989 0.90 ABL1 (0.47) RAF1BRAFABL1HDAC6PDE5A
SCHEMBL11949048 0.89 ABL1 (0.44) ABL1HDAC6PDE5ABRPF1PARP1
SCHEMBL11949052 0.88 KDM4E (0.49) ABL1HDAC6NPC1RAB9APDE5A
SCHEMBL11949053 0.87 KMT2A (0.45) KMT2AABL1HDAC6PDE5A
SCHEMBL3096806 0.87 RAF1 (0.49) RAF1BRAFKMT2APDE4APDE4B
SCHEMBL11949056 0.87 TUBB4A (0.44) KMT2AAAK1ABL1HDAC6PDE5A
SCHEMBL11949046 0.86 ALOX15 (0.48) ABL1HDAC6PDE5ABRPF1PARP1
SCHEMBL11948998 0.85 HDAC6 (0.48) RAF1BRAFKMT2AABL1HDAC6
SCHEMBL11949001 0.84 MMP2 (0.52) RAF1BRAFKMT2APDE4APDE4B
SCHEMBL11949062 0.83 BRPF1 (0.58) KMT2AABL1HDAC6NPC1RAB9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232410-B2 Benzimidazoles and pharmaceutical compositions thereof THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2012-07-31 — — US disclosed
US-8232410-B2 Benzimidazoles and pharmaceutical compositions thereof THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2012-07-31 — — US disclosed
US-20100256203-A1 BENZIMIDAZOLES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2010-10-07 — — US disclosed
US-20100256203-A1 BENZIMIDAZOLES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2010-10-07 — — US disclosed
WO-2008130669-A1 BENZIMIDAZOLES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2008-10-30 — — 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-20100256203-A1 BENZIMIDAZOLES AND PHARMACEUTICAL COMPOSITIONS THEREOF TBCD, TBC1D5, CFTR RAF1 2278/4885BRAF 694/4885KMT2A 3023/4885

“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.

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