SCHEMBL2653828

SCHEMBL2653828

O=[N+]([O-])c1cc(C2OCCO2)ccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
KMT2A Q03164 4/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.47
ALOX12 P18054 1/20 0.47
MAPK1 P28482 1/20 0.47
RECQL P46063 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
VCAM1 P19320 8/20 0.46
PKM P14618 1/20 0.46
NPBWR1 P48145 1/20 0.42
MCHR1 Q99705 1/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.41
ESR1 P03372 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
SCHEMBL176917 0.82 LMNA (0.48) KMT2ALMNAKDM4EMEN1MAPT
SCHEMBL176916 0.82 LMNA (0.48) KMT2ALMNAKDM4EMEN1MAPT
SCHEMBL11483817 0.81 TSHR (0.44) HTTKMT2ALMNAKDM4EMEN1
SCHEMBL29224610 0.81 ALDH1A1 (0.50) HTTKMT2ALMNAMEN1MAPT
SCHEMBL243576 0.81 MAPK1 (0.50) HTTKMT2ALMNAKDM4EMEN1
SCHEMBL12903342 0.79 LMNA (0.46) KMT2ALMNAKDM4EMEN1MAPT
SCHEMBL1065965 0.78 VCAM1 (0.50) KMT2ALMNAKDM4EMEN1MAPT
SCHEMBL3045833 0.77 TUBB4A (0.58) HTTKMT2ALMNAMEN1MAPT
SCHEMBL5913326 0.77 HTT (0.46) HTTKMT2ALMNAMEN1MAPT
SCHEMBL11484287 0.75 ALDH1A1 (0.42) HTTKMT2ALMNAMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1759112-A Benzimidazole derivatives and their use for modulating the GABA- SB A /SB receptor complex NEUROSEARCH AS (DK) 2006-04-12 CN disclosed
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
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 HTT 2089/4885KMT2A 1403/4885LMNA 4151/4885

“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.