SCHEMBL2648620

SCHEMBL2648620

CN1CCN(c2cccc(Nc3ccc(-c4ccoc4)cc3N)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.49
HDAC2 Q92769 2/20 0.49
KMT2A Q03164 2/20 0.46
WDR5 P61964 1/20 0.46
HRH4 Q9H3N8 2/20 0.45
HRH1 P35367 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
MAPKAPK2 P49137 4/20 0.45
ADRA2C P18825 1/20 0.44
SLC2A1 P11166 1/20 0.43
CLK4 Q9HAZ1 2/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
HIF1A Q16665 1/20 0.42
JAK2 O60674 4/20 0.41
JAK3 P52333 4/20 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
SCHEMBL2660003 0.83 ALDH1A1 (0.44) HDAC3HDAC2USP2ALDH1A1
SCHEMBL2650269 0.83 ALK (0.46) HDAC3HDAC2KMT2AMAPKAPK2SLC2A1
SCHEMBL5779752 0.82 JAK2 (0.46) HDAC3HDAC2ALDH1A1JAK2JAK3
SCHEMBL2643607 0.82 HDAC2 (0.39) HDAC3HDAC2KMT2ACLK4MEN1
SCHEMBL5781905 0.81 BACE1 (0.41) HDAC3HDAC2SLC2A1ALDH1A1JAK2
SCHEMBL9071943 0.78 HDAC2 (0.41) HDAC2KMT2ACLK4MEN1USP2
SCHEMBL27558051 0.78 FAAH (0.40) HDAC3HDAC2ALDH1A1
SCHEMBL7829252 0.77 ABL1 (0.46) HDAC2KMT2ACLK4MEN1USP2
SCHEMBL2643125 0.76 SYK (0.37) HDAC3HDAC2KMT2AWDR5CLK4
SCHEMBL2643659 0.76 HDAC2 (0.43) HDAC2KMT2ACLK4MEN1USP2

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 HDAC3 166/4885HDAC2 230/4885KMT2A 354/4885

“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.