SCHEMBL2654496

SCHEMBL2654496

CC(=O)N1CCN(c2cccc(Nc3ccc(CC(N)=O)cc3[N+](=O)[O-])c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.47
POLB P06746 1/20 0.43
LMNA P02545 3/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
DCTPP1 Q9H773 2/20 0.41
MET P08581 2/20 0.41
MAPK1 P28482 2/20 0.41
GAA P10253 1/20 0.41
CCNT1 O60563 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CDK7 P50613 1/20 0.41
CDK9 P50750 1/20 0.41
CCNH P51946 1/20 0.41
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL2654528 0.90 MAPT (0.48) MAPTPOLBLMNAHTTSMN1; SMN2
SCHEMBL2656495 0.86 ALDH1A1 (0.48) MAPTPOLBLMNAHTTSMN1; SMN2
SCHEMBL2654638 0.86 MAPT (0.46) MAPTPOLBLMNAHTTSMN1; SMN2
SCHEMBL2655224 0.85 CCNT1 (0.45) MAPTLMNAHTTSMN1; SMN2MAPK1
SCHEMBL2648721 0.84 MAPT (0.50) MAPTPOLBLMNAHTTSMN1; SMN2
SCHEMBL2654223 0.82 AKR1C3 (0.60) MAPTPOLBSMN1; SMN2DCTPP1MAPK1
SCHEMBL2650462 0.82 SIRT6 (0.49) MAPTMAPK1L3MBTL1KMT2A
SCHEMBL2655113 0.81 AKR1B1 (0.59) MAPTLMNAHTTMAPK1L3MBTL1
SCHEMBL2649234 0.81 MAPT (0.52) MAPTPOLBLMNAHTTSMN1; SMN2
SCHEMBL2654961 0.79 AKR1C3 (0.47) MAPTPOLBMETALDH1A1MEN1

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 1260/4885POLB 4058/4885LMNA 4097/4885

“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.