SCHEMBL6496800

SCHEMBL6496800

CCOC(=O)C(C)(C)CCOc1ccc(NC(C)=O)c(N)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.38
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
KCNQ4 P56696 1/20 0.38
KCNQ5 Q9NR82 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 3/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
PPARG P37231 1/20 0.37
NCOA2 Q15596 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTGER4 P35408 2/20 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
SCHEMBL6489687 0.83 KMT2A (0.56) TDP1NPC1LMNAKMT2ACYP1A2
SCHEMBL11388056 0.80 LMNA (0.47) TDP1NPC1LMNAALDH1A1SMN1; SMN2
SCHEMBL6356998 0.80 KMT2A (0.57) TDP1NPC1LMNAKMT2ACYP1A2
Hydrochloric Acid SCHEMBL6487897 0.79 BRD4 (0.49) TDP1SMN1; SMN2L3MBTL1MAPT
SCHEMBL9417637 0.77 S1PR4 (0.49) S1PR4S1PR1S1PR3S1PR5TSHR
SCHEMBL6487724 0.77 HDAC1 (0.39) NPC1LMNAKMT2ACYP1A2MEN1
SCHEMBL6492219 0.75 DRD2 (0.36) SMN1; SMN2KDM4ES1PR4S1PR1S1PR3
SCHEMBL21991979 0.73 PPARA (0.50) NPC1LMNACYP1A2ALDH1A1SMN1; SMN2
SCHEMBL21991935 0.73 FBP1 (0.41) TDP1CYP1A2ALDH1A1L3MBTL1TSHR
SCHEMBL21991986 0.72 PPARA (0.60) NPC1LMNAKMT2ACYP1A2MEN1

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 TDP1 3080/4885KCNQ3 1989/4885KCNQ2 1391/4885

“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.