SCHEMBL10029166

SCHEMBL10029166

CC(C)N(C(=O)O/N=C(\N)c1ccc2[nH]c(-c3ccc(F)cc3)nc2c1)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 12/20 0.51
NR4A2 P43354 1/20 0.47
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RHEB Q15382 1/20 0.40

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
SCHEMBL10029169 0.88 CHEK2 (0.53) CHEK2NR4A2HDAC3HDAC1HDAC2
SCHEMBL1840143 0.88 CHEK2 (0.53) CHEK2NR4A2HDAC3HDAC1HDAC2
SCHEMBL1841823 0.87 CHEK2 (0.50) CHEK2NR4A2HDAC3HDAC1HDAC2
SCHEMBL1840661 0.87 CHEK2 (0.50) CHEK2NR4A2HDAC3HDAC1HDAC8
SCHEMBL10029170 0.87 CHEK2 (0.50) CHEK2NR4A2HDAC3HDAC1HDAC2
SCHEMBL10029164 0.87 CHEK2 (0.50) CHEK2NR4A2HDAC3HDAC1HDAC8
SCHEMBL10029163 0.86 CHEK2 (0.49) CHEK2NR4A2HDAC3HDAC1HDAC2
SCHEMBL1842525 0.85 CHEK2 (0.48) CHEK2NR4A2HDAC3HDAC1HDAC2
SCHEMBL1838720 0.84 CHEK2 (0.47) CHEK2NR4A2HDAC3HDAC1HDAC2
SCHEMBL10029165 0.83 CHEK2 (0.50) CHEK2NR4A2

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-8168665-B2 Substituted 2-phenyl-benzimidazoles and their use as pharmaceuticals SANOFI-AVENTIS (FR) 2012-05-01 US disclosed
US-8168665-B2 Substituted 2-phenyl-benzimidazoles and their use as pharmaceuticals SANOFI-AVENTIS (FR) 2012-05-01 US disclosed
US-20090239915-A1 Substituted 2-phenyl-benzimidazoles and their use as pharmaceuticals SANOFI-AVENTIS (FR) 2009-09-24 US disclosed
US-20090239915-A1 Substituted 2-phenyl-benzimidazoles and their use as pharmaceuticals SANOFI-AVENTIS (FR) 2009-09-24 US disclosed
WO-2008037381-A1 SUBSTITUTED 2-PHENYL-BENZIMIDAZOLES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2008-04-03 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-20090239915-A1 Substituted 2-phenyl-benzimidazoles and their use as pharmaceuticals NOS2, NOS3, NOS1 CHEK2 4134/4885NR4A2 983/4885HDAC3 771/4885

“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.