SCHEMBL2654345

SCHEMBL2654345

O=[N+]([O-])c1cc(C2OCCO2)ccc1Nc1cccc(-n2ccnc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.40
PDGFRB P09619 1/20 0.40
BCR P11274 1/20 0.40
SRC P12931 1/20 0.40
PDGFRA P16234 1/20 0.40
PRKCA P17252 1/20 0.40
PRKCD Q05655 1/20 0.40
EGFR P00533 1/20 0.40
MAPT P10636 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
IDO1 P14902 1/20 0.38
SYK P43405 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HCAR3 P49019 1/20 0.34

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
SCHEMBL2654281 0.88 L3MBTL1 (0.42) MAPTTDP1MAPK1SMN1; SMN2MEN1
SCHEMBL2654297 0.85 SYK (0.41) ABL1PDGFRBBCRSRCPDGFRA
SCHEMBL2656336 0.83 ABL1 (0.41) ABL1PDGFRBBCRSRCPDGFRA
SCHEMBL2654269 0.82 EGFR (0.46) ABL1PDGFRBBCRSRCPDGFRA
SCHEMBL2649704 0.78 ABL1 (0.45) ABL1PDGFRBBCRSRCPDGFRA
SCHEMBL2655019 0.78 EGFR (0.43) ABL1PDGFRBBCRSRCPDGFRA
SCHEMBL7820033 0.77 ABL1 (0.44) ABL1PDGFRBBCRSRCPDGFRA
SCHEMBL2654853 0.74 L3MBTL1 (0.36) EGFRMAPTTDP1MEN1KMT2A
SCHEMBL2654545 0.73 L3MBTL1 (0.38) MAPTTDP1MAPK1SMN1; SMN2MEN1
SCHEMBL2658767 0.72 L3MBTL1 (0.39) MAPTTDP1MAPK1SMN1; SMN2MEN1

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 ABL1 1717/4885PDGFRB 438/4885BCR 2206/4885

“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.