SCHEMBL6501772

SCHEMBL6501772

CCOC(=O)CCCOc1cc(C)c2nc(C)n(Cc3cccc(Cl)c3Cl)c2c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3C2B O00750 4/20 0.47
PIK3CB P42338 1/20 0.42
CYSLTR2 Q9NS75 3/20 0.42
CYSLTR1 Q9Y271 3/20 0.42
MCL1 Q07820 3/20 0.41
PLA2G2A P14555 3/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
DCTPP1 Q9H773 2/20 0.38
FAAH O00519 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
P2RY12 Q9H244 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL6489154 0.93 ALDH1A1 (0.47) CYSLTR2CYSLTR1MCL1PLA2G2AKDM4E
SCHEMBL6488044 0.90 PIK3C2B (0.51) PIK3C2BPIK3CBMCL1PLA2G2ADCTPP1
SCHEMBL6502915 0.86 SMN1; SMN2 (0.44) CYSLTR2CYSLTR1MCL1PLA2G2AKDM4E
SCHEMBL6488906 0.86 MEN1 (0.40) CYSLTR2CYSLTR1MCL1PLA2G2AKDM4E
SCHEMBL6488241 0.86 MCL1 (0.43) CYSLTR2CYSLTR1MCL1PLA2G2AKDM4E
SCHEMBL6488675 0.85 PLA2G2A (0.41) CYSLTR2CYSLTR1MCL1PLA2G2AKDM4E
SCHEMBL6491512 0.85 MCL1 (0.41) CYSLTR2CYSLTR1MCL1PLA2G2AALDH1A1
SCHEMBL6499832 0.85 PLA2G2A (0.42) CYSLTR2CYSLTR1MCL1PLA2G2AKDM4E
SCHEMBL6486770 0.85 MCL1 (0.40) CYSLTR2CYSLTR1MCL1PLA2G2AMAPT
SCHEMBL6492166 0.84 GAA (0.43) CYSLTR2CYSLTR1MCL1PLA2G2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014812-A1 Benzimidazole compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-01-20 US disclosed
WO-2004108686-A2 BENZIMIDAZOLE COMPOUNDS HAVING HYPOGLYCEMIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-16 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-20050014812-A1 Benzimidazole compounds SLC5A1, SLC5A2, G6PD PIK3C2B 2433/4885PIK3CB 1157/4885CYSLTR2 2679/4885

“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.