SCHEMBL2661601

SCHEMBL2661601

CN1CCN(c2cccc(Nc3ccc(C(=O)OCCO)cc3[N+](=O)[O-])c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
HPGD P15428 1/20 0.47
SIRT6 Q8N6T7 1/20 0.47
THRB P10828 2/20 0.46
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
ALDH1A1 P00352 3/20 0.45
HCAR3 P49019 1/20 0.44
KMT2A Q03164 2/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
WDR5 P61964 1/20 0.43
AKR1C4 P17516 2/20 0.43
AKR1C3 P42330 2/20 0.43
AKR1C2 P52895 2/20 0.43
AKR1C1 Q04828 2/20 0.43
RAB9A P51151 2/20 0.43
PTGER4 P35408 1/20 0.43
AKR1B10 O60218 1/20 0.43
AKR1B1 P15121 1/20 0.43

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
SCHEMBL2651871 0.93 ALDH1A1 (0.48) MAPTHPGDSIRT6THRBLMNA
SCHEMBL2651563 0.91 MAPT (0.44) MAPTHPGDSIRT6THRBLMNA
SCHEMBL4702845 0.91 MAPT (0.46) MAPTHPGDTHRBLMNAALDH1A1
SCHEMBL2661874 0.89 MAPT (0.46) MAPTHPGDTHRBLMNAALDH1A1
SCHEMBL4702842 0.88 MAPT (0.45) MAPTHPGDTHRBLMNAALDH1A1
SCHEMBL2662596 0.88 MAPT (0.42) MAPTHPGDTHRBLMNAALDH1A1
SCHEMBL2662423 0.87 LMNA (0.48) MAPTHPGDTHRBLMNAPOLB
SCHEMBL2661592 0.86 KMT2A (0.42) MAPTHPGDTHRBLMNAPOLB
SCHEMBL2662043 0.85 HTR1D (0.44) MAPTHPGDTHRBALDH1A1PTGER4
SCHEMBL2662516 0.85 MAPT (0.43) MAPTHPGDTHRBLMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1194410-B1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH AS (DK) 2006-01-18 EP disclosed
US-6936613-B2 Benzimidazole derivatives and pharmaceutical compositions comprising these compounds NEUROSEARCH A/S (DK) 2005-08-30 US disclosed
US-20040097570-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds NEUROSEARCH A/S 2004-05-20 US disclosed
US-6649609-B2 For inducing and maintaining anesthesia, sedation and muscle relaxation, as well as for combating febrile convulsions in children NEUROSEARCH A/S (DK) 2003-11-18 US disclosed
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds ANIONA APS (DK) 2003-03-20 US disclosed
EP-1194410-A1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH A/S (DK) 2002-04-10 EP disclosed
WO-2000078728-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH A/S (DK) 2000-12-28 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 (2 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-20040097570-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 MAPT 906/4885HPGD 1452/4885SIRT6 1280/4885
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 MAPT 981/4885HPGD 1290/4885SIRT6 1158/4885

“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.