SCHEMBL2654528

SCHEMBL2654528

COC(=O)Cc1ccc(Nc2cccc(N3CCN(C(C)=O)CC3)c2)c([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.48
ALDH1A1 P00352 4/20 0.48
GAA P10253 2/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
AKR1B10 O60218 1/20 0.43
AKR1B1 P15121 1/20 0.43
AKR1C4 P17516 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
AKR1C1 Q04828 1/20 0.43
HPGD P15428 1/20 0.43
POLB P06746 1/20 0.42
MAPK1 P28482 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MET P08581 2/20 0.42
DCTPP1 Q9H773 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
SCHEMBL2654496 0.90 MAPT (0.47) MAPTALDH1A1GAALMNASMN1; SMN2
SCHEMBL2654638 0.85 MAPT (0.46) MAPTALDH1A1GAALMNASMN1; SMN2
SCHEMBL2654223 0.85 AKR1C3 (0.60) MAPTALDH1A1GAASMN1; SMN2MEN1
SCHEMBL2654981 0.85 SMN1; SMN2 (0.51) MAPTALDH1A1GAALMNASMN1; SMN2
SCHEMBL2649234 0.84 MAPT (0.52) MAPTALDH1A1GAALMNASMN1; SMN2
SCHEMBL2656495 0.84 ALDH1A1 (0.48) MAPTALDH1A1GAALMNASMN1; SMN2
SCHEMBL13917358 0.83 SMN1; SMN2 (0.49) MAPTALDH1A1GAALMNASMN1; SMN2
SCHEMBL2648721 0.83 MAPT (0.50) MAPTALDH1A1GAALMNASMN1; SMN2
SCHEMBL2650462 0.81 SIRT6 (0.49) MAPTKMT2AAKR1B10AKR1B1AKR1C4
SCHEMBL2650623 0.81 MAPT (0.49) MAPTALDH1A1GAAMEN1KMT2A

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-20090062304-A1 Benzimidazole derivatives and their use for modulating the gaba-alpha receptor complex NEUROSEARCH A/S (DK) 2009-03-05 US disclosed
EP-1874735-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2008-01-09 EP disclosed
WO-2006111517-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2006-10-26 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-20090062304-A1 Benzimidazole derivatives and their use for modulating the gaba-alpha receptor complex GABRB1, GABRB2, GABRB3 MAPT 1260/4885ALDH1A1 514/4885GAA 932/4885

“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.