SCHEMBL6488967

SCHEMBL6488967

CC(=O)Nc1c(C)cc(O)cc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
GAA P10253 3/20 0.49
HPGD P15428 2/20 0.49
MAPT P10636 6/20 0.47
LMNA P02545 5/20 0.47
KDM4E B2RXH2 1/20 0.47
CYTH2 Q99418 1/20 0.46
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GALR2 O43603 1/20 0.43
MITF O75030 1/20 0.43
HSP90AA1 P07900 1/20 0.43
XBP1 P17861 1/20 0.43
CCR6 P51684 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
KCNMA1 Q12791 1/20 0.42
NPC1 O15118 1/20 0.41

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
SCHEMBL3635385 0.85 ALDH1A1 (0.65) ALDH1A1GAAHPGDMAPTLMNA
SCHEMBL1285514 0.84 MAPT (0.56) ALDH1A1GAAHPGDMAPTLMNA
SCHEMBL1285464 0.83 MAPT (0.46) ALDH1A1GAAHPGDMAPTLMNA
SCHEMBL3300905 0.83 ALDH1A1 (0.48) ALDH1A1GAAHPGDMAPTLMNA
SCHEMBL1632654 0.83 ALDH1A1 (0.48) ALDH1A1GAAHPGDMAPTLMNA
SCHEMBL29722774 0.83 ALDH1A1 (0.48) ALDH1A1GAAHPGDMAPTLMNA
SCHEMBL638498 0.81 TSHR (0.54) ALDH1A1GAAHPGDMAPTLMNA
SCHEMBL20857699 0.80 LMNA (0.56) ALDH1A1HPGDMAPTLMNACYTH2
SCHEMBL25272394 0.80 ALDH1A1 (0.46) ALDH1A1GAAHPGDMAPTLMNA
SCHEMBL12329603 0.80 HRAS (0.49) ALDH1A1GAAHPGDMAPTKDM4E

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 ALDH1A1 96/4885GAA 22/4885HPGD 2381/4885

“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.