SCHEMBL6489112

SCHEMBL6489112

CC(=O)Nc1c(OCCCCCC(=O)O)cccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 1/20 0.43
RECQL P46063 1/20 0.43
RAB9A P51151 1/20 0.43
LTB4R Q15722 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.42
POLB P06746 2/20 0.41
KCNH2 Q12809 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 3/20 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
SCHEMBL250364 0.87 KMT2A (0.49) L3MBTL1CYP1A2CYP3A4MEN1KMT2A
SCHEMBL6489389 0.87 L3MBTL1 (0.52) L3MBTL1CYP2D6CYP2C19CYP1A2CYP3A4
SCHEMBL6489977 0.84 ALDH1A1 (0.49) L3MBTL1MEN1KMT2AMAPTNPC1
SCHEMBL6501312 0.82 L3MBTL1 (0.48) L3MBTL1CYP2D6CYP2C19CYP1A2CYP3A4
SCHEMBL5983525 0.81 LMNA (0.51) L3MBTL1CYP2C19CYP1A2CYP3A4MEN1
SCHEMBL27633714 0.81 NPC1 (0.66) L3MBTL1CYP2D6CYP2C19CYP1A2MEN1
SCHEMBL1137447 0.80 CYP19A1 (0.59) L3MBTL1MEN1KMT2AMAPTTDP1
SCHEMBL7304281 0.77 NPC1 (0.46) SERPINE1L3MBTL1CYP2D6CYP2C19MEN1
SCHEMBL3449044 0.77 ALDH1A1 (0.56) L3MBTL1CYP3A4MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL7312489 0.76 NPC1 (0.44) SERPINE1L3MBTL1CYP2D6CYP2C19MEN1

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 SERPINE1 1113/4885L3MBTL1 790/4885CYP2D6 75/4885

“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.