SCHEMBL2654545

SCHEMBL2654545

O=[N+]([O-])c1cc(C2OCCO2)ccc1Nc1cccc(-c2ccon2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
WNK1 Q9H4A3 1/20 0.38
AKR1B1 P15121 2/20 0.37
AKR1C4 P17516 2/20 0.37
AKR1C3 P42330 2/20 0.37
AKR1C2 P52895 2/20 0.37
AKR1C1 Q04828 2/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
MYC P01106 2/20 0.36
HCAR3 P49019 1/20 0.35
SYK P43405 1/20 0.35
P2RX3 P56373 1/20 0.35
MAPT P10636 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
POLB P06746 1/20 0.35
IDO1 P14902 1/20 0.35
AKR1B10 O60218 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL2654386 0.88 DHODH (0.39) L3MBTL1WNK1AKR1B1AKR1C4AKR1C3
SCHEMBL2655091 0.83 SYK (0.38) L3MBTL1MEN1KMT2ASYKP2RX3
SCHEMBL2654853 0.79 L3MBTL1 (0.36) L3MBTL1WNK1AKR1B1AKR1C4AKR1C3
SCHEMBL2653406 0.78 MAPT (0.49) AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL2654281 0.76 L3MBTL1 (0.42) L3MBTL1WNK1AKR1B1AKR1C4AKR1C3
SCHEMBL2654345 0.73 ABL1 (0.40) L3MBTL1WNK1HTTMEN1KMT2A
SCHEMBL2653252 0.70 SYK (0.41) L3MBTL1MEN1KMT2ASYKP2RX3
SCHEMBL29224153 0.68 HTT (0.44) L3MBTL1WNK1HTTMEN1KMT2A
SCHEMBL2653674 0.67 DHODH (0.47) L3MBTL1POLB
SCHEMBL2653441 0.65 IDO1 (0.54) L3MBTL1MAPTTDP1IDO1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060069135-A1 Benzimidazole derivatives and their use for modulating the gaba-a receptor complex NEUROSEARCH A/S (DK) 2006-03-30 US disclosed
EP-1613618-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA- sb A /sb RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2006-01-11 EP disclosed
WO-2004087690-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA-A RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2004-10-14 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-20060069135-A1 Benzimidazole derivatives and their use for modulating the gaba-a receptor complex GABRB2, GABRB1, GABRB3 L3MBTL1 3759/4885WNK1 1727/4885AKR1B1 863/4885

“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.