SCHEMBL2962659

SCHEMBL2962659

CC#CCn1c(N2CCN(C(=O)OC(C)(C)C)CC2)nc(C(=O)c2ccccc2)c1C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
CKS1B P61024 2/20 0.42
SKP1 P63208 2/20 0.42
SKP2 Q13309 2/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KCNH2 Q12809 1/20 0.40
ATM Q13315 1/20 0.40
ACHE P22303 1/20 0.40
KDM4E B2RXH2 2/20 0.39
PKM P14618 1/20 0.39
GBA1 P04062 2/20 0.39
ABCB1 P08183 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
SCHEMBL13200917 0.92 KDM4E (0.42) ALDH1A1CKS1BSKP1SKP2LMNA
SCHEMBL2956517 0.87 KCNH2 (0.41) ALDH1A1CKS1BSKP1SKP2LMNA
SCHEMBL2956767 0.86 CKS1B (0.41) ALDH1A1CKS1BSKP1SKP2TSHR
SCHEMBL2956304 0.86 KCNH2 (0.40) ALDH1A1CKS1BSKP1SKP2LMNA
SCHEMBL2965716 0.85 KCNH2 (0.40) ALDH1A1CKS1BSKP1SKP2LMNA
SCHEMBL2959239 0.83 ATM (0.40) ALDH1A1CKS1BSKP1SKP2LMNA
SCHEMBL2956820 0.83 KCNH2 (0.41) ALDH1A1CKS1BSKP1SKP2LMNA
SCHEMBL2954841 0.82 KCNH2 (0.40) ALDH1A1CKS1BSKP1SKP2LMNA
SCHEMBL2956844 0.82 KCNH2 (0.40) ALDH1A1CKS1BSKP1SKP2LMNA
SCHEMBL2959516 0.82 KCNH2 (0.46) ALDH1A1CKS1BSKP1SKP2LMNA

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-7772226-B2 Condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-10 US disclosed
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-15 US disclosed
US-20060100199-A1 Novel condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-05-11 US disclosed
US-20060063787-A1 Condensed imidazole derivatives EISAI CO., LTD. (JP) 2006-03-23 US disclosed
EP-1514552-A1 NOVEL FUSED IMIDAZOLE DERIVATIVE Eisai Co., Ltd. (JP) 2005-03-16 EP disclosed
US-20040116328-A1 Condensed imidazole derivatives EISAI CO., LTD. (JP) 2004-06-17 US 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 (3 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-20060100199-A1 Novel condensed imidazole derivatives H1-2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-4 ALDH1A1 1467/4885CKS1B 144/4885SKP1 928/4885
US-20060063787-A1 Condensed imidazole derivatives DPP4, HDAC1, DPP7 ALDH1A1 686/4885CKS1B 103/4885SKP1 1478/4885
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 ALDH1A1 686/4885CKS1B 103/4885SKP1 1478/4885

“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.