SCHEMBL5952907

SCHEMBL5952907

COC(=O)/C=C/c1nn(C(=O)OC(C)(C)C)c2cccc(Cl)c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL1B P01584 6/20 0.35
P2RX7 Q99572 5/20 0.35
STS P08842 1/20 0.35
MAP2K4 P45985 1/20 0.35
XPO1 O14980 1/20 0.34
LCK P06239 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NR1H4 Q96RI1 4/20 0.33
PARP14 Q460N5 1/20 0.32
CCR4 P51679 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
MAOB P27338 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
TYR P14679 1/20 0.32
CA7 P43166 1/20 0.32

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
SCHEMBL5952909 1.00 IL1B (0.35) IL1BP2RX7STSMAP2K4XPO1
SCHEMBL5952641 0.87 MAP2K4 (0.37) MAP2K4ALDH1A1NR1H4PARP14CA12
SCHEMBL5952647 0.87 MAP2K4 (0.37) MAP2K4ALDH1A1NR1H4PARP14CA12
SCHEMBL5952500 0.84 MAP2K4 (0.38) IL1BP2RX7STSMAP2K4XPO1
SCHEMBL16791413 0.82 MAP2K4 (0.39) MAP2K4KDM4EALDH1A1SMN1; SMN2NR1H4
SCHEMBL5951579 0.79 MAP2K4 (0.39) IL1BP2RX7STSMAP2K4KDM4E
SCHEMBL31190600 0.79 MAP2K4 (0.39) IL1BP2RX7STSMAP2K4KDM4E
SCHEMBL5485038 0.76 EPHX2 (0.35) KDM4EALDH1A1NR1H4
SCHEMBL15149187 0.76 NPC1 (0.38) MAP2K4ALDH1A1HTTMAOBCA12
SCHEMBL5952034 0.74 PDE4B (0.40) STSMAP2K4KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 IL1B 3829/4885P2RX7 792/4885STS 870/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A IL1B 2925/4885P2RX7 943/4885STS 932/4885

“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.