SCHEMBL2649948

SCHEMBL2649948

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

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
HTR6 P50406 6/20 0.49
SIRT6 Q8N6T7 7/20 0.48
MAPK1 P28482 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
ALDH1A1 P00352 1/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL2650462 0.81 SIRT6 (0.49) MAPTHTR6SIRT6MAPK1L3MBTL1
SCHEMBL2650269 0.81 ALK (0.46) MAPTHTR6SIRT6MAPK1L3MBTL1
SCHEMBL2661601 0.78 MAPT (0.47) MAPTSIRT6MAPK1L3MBTL1ALDH1A1
SCHEMBL2651871 0.77 ALDH1A1 (0.48) MAPTHTR6SIRT6ALDH1A1
SCHEMBL2651563 0.76 MAPT (0.44) MAPTSIRT6MAPK1L3MBTL1ALDH1A1
SCHEMBL2643420 0.76 L3MBTL1 (0.41) MAPTMAPK1L3MBTL1ALDH1A1MEN1
SCHEMBL1845227 0.75 MAPT (0.70) MAPTHTR6SIRT6MAPK1L3MBTL1
SCHEMBL7819742 0.75 KDM4E (0.40) MAPTL3MBTL1ALDH1A1TDP1
SCHEMBL2656495 0.75 ALDH1A1 (0.48) MAPTMAPK1L3MBTL1ALDH1A1MEN1
SCHEMBL7304083 0.75 L3MBTL1 (0.68) MAPTMAPK1L3MBTL1ALDH1A1MEN1

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-0934281-B1 1-PHENYL-BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS BAGA- A? RECEPTOR MODULATORS NEUROSEARCH AS (DK) 2010-01-06 EP disclosed
US-6710044-B2 Technical field NEUROSEARCH A/S (DK) 2004-03-23 US disclosed
US-20030166638-A1 Benzimidazole's used as aminobutyric acid receptor modulators, for prophylaxis of nervous system disorders such as anxiety, sleep disorders, epilepsia or convulsions NEUROSEARCH A/S 2003-09-04 US disclosed
US-6503925-B1 Treating anxiety, anesthesia, and epilepsy NEUROSEARCH A/S (DK) 2003-01-07 US disclosed
US-6218547-B1 1-phenyl-benzimidazole compounds and their use as GABA-a receptor modulators NEUROSEARCH A/S (DK) 2001-04-17 US disclosed
EP-0934281-A1 1-PHENYL-BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS BAGA- A? RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 1999-08-11 EP disclosed
WO-1998017651-A1 1-PHENYL-BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS BAGA-A RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 1998-04-30 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-20030166638-A1 Benzimidazole's used as aminobutyric acid receptor modulators, for prophylaxis of nervous system disorders such as anxiety, sleep disorders, epilepsia or convulsions GABRA1, GABRA2, GABRA4 MAPT 512/4885HTR6 451/4885SIRT6 2625/4885

“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.