SCHEMBL4702845

SCHEMBL4702845

COCCN1CCN(c2cccc(Nc3ccc(C(=O)OCCO)cc3[N+](=O)[O-])c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.46
ALDH1A1 P00352 7/20 0.46
HPGD P15428 4/20 0.46
RAB9A P51151 2/20 0.46
PTGER4 P35408 1/20 0.46
THRB P10828 1/20 0.43
SLC2A1 P11166 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
AKR1C4 P17516 2/20 0.42
AKR1C3 P42330 2/20 0.42
AKR1C2 P52895 2/20 0.42
AKR1C1 Q04828 2/20 0.42
AKR1B10 O60218 1/20 0.42
AKR1B1 P15121 1/20 0.42
MAPK1 P28482 3/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTR7 P34969 1/20 0.41
HCAR3 P49019 2/20 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
SCHEMBL2661601 0.91 MAPT (0.47) MAPTALDH1A1HPGDRAB9APTGER4
SCHEMBL2661874 0.90 MAPT (0.46) MAPTALDH1A1HPGDRAB9APTGER4
SCHEMBL2661798 0.89 MAPT (0.48) MAPTALDH1A1HPGDRAB9APTGER4
SCHEMBL2651871 0.89 ALDH1A1 (0.48) MAPTALDH1A1HPGDRAB9APTGER4
SCHEMBL2661830 0.88 MAPT (0.45) MAPTALDH1A1HPGDRAB9APTGER4
SCHEMBL2662596 0.87 MAPT (0.42) MAPTALDH1A1HPGDRAB9APTGER4
SCHEMBL2662423 0.87 LMNA (0.48) MAPTALDH1A1HPGDRAB9APTGER4
SCHEMBL2650643 0.87 MAPT (0.44) MAPTALDH1A1HPGDRAB9APTGER4
SCHEMBL4698910 0.86 HTR4 (0.46) MAPTPTGER4MAPK1LMNAHTR7
SCHEMBL2662484 0.86 THRB (0.47) MAPTALDH1A1HPGDRAB9APTGER4

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
EP-1615896-B1 NOVEL BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH AS (DK) 2008-04-23 EP disclosed
US-20060241101-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds NEUSEARCH A/S (DK) 2006-10-26 US 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-20060241101-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA2, GABRA1, GABRA5 MAPT 1237/4885ALDH1A1 918/4885HPGD 1091/4885

“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.