SCHEMBL5952658

SCHEMBL5952658

CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)Nc3ccc(OCCN4CCOCC4)cc3N)c2C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.41
RET P07949 6/20 0.40
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
KDR P35968 3/20 0.39
AURKA O14965 2/20 0.39
FLT3 P36888 2/20 0.39
NR1I2 O75469 1/20 0.38
ABHD6 Q9BV23 1/20 0.38
GRM4 Q14833 1/20 0.38
CSF1R P07333 1/20 0.37
PDGFRB P09619 1/20 0.37
KIT P10721 1/20 0.37
DDR1 Q08345 1/20 0.37
EPHX2 P34913 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NAMPT P43490 1/20 0.37
BRD4 O60885 1/20 0.37

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
SCHEMBL5952667 0.81 SMN1; SMN2 (0.39) RETCDK5CDK5R1KDRABHD6
SCHEMBL5952792 0.79 RBP4 (0.45) RXFP1BRD4
SCHEMBL13374010 0.78 RBP4 (0.41) HDAC1NAMPT
SCHEMBL5952533 0.76 ACHE (0.43) KDRABHD6PDGFRBBRD4
SCHEMBL5951628 0.75 RBP4 (0.39) HDAC1NAMPT
SCHEMBL29386147 0.70 RBP4 (0.42) HDAC1NAMPTBRD4
SCHEMBL30074122 0.70 EP300 (0.55) FLT3KITBRD4
SCHEMBL11929929 0.70 ABHD6 (0.70) ABHD6
SCHEMBL216291 0.69 EPHX2 (0.52) EPHX2
SCHEMBL25430237 0.68 ADORA1 (0.43) NAMPTBRD4

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 7 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-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 HDAC1 162/4885RET 1256/4885CDK5 71/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A HDAC1 96/4885RET 1528/4885CDK5 116/4885

“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.