SCHEMBL2648482

SCHEMBL2648482

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
THRB P10828 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.43
MGLL Q99685 7/20 0.42
BCL2L1 Q07817 1/20 0.42
POLB P06746 2/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
HCAR3 P49019 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL2650623 0.90 MAPT (0.49) MAPTTHRBGAAKMT2AALDH1A1
SCHEMBL2649234 0.87 MAPT (0.52) MAPTGAAKMT2AALDH1A1MEN1
SCHEMBL2648480 0.84 MAPT (0.45) MAPTTHRBGAAKMT2AALDH1A1
SCHEMBL2648721 0.84 MAPT (0.50) MAPTGAAKMT2AALDH1A1MEN1
SCHEMBL2661601 0.83 MAPT (0.47) MAPTTHRBKMT2AALDH1A1HPGD
SCHEMBL2651871 0.81 ALDH1A1 (0.48) MAPTTHRBALDH1A1HPGDPOLB
SCHEMBL5783408 0.80 BCL2 (0.48) MAPTTHRBKMT2AALDH1A1MEN1
SCHEMBL2661798 0.80 MAPT (0.48) MAPTTHRBKMT2AALDH1A1HPGD
SCHEMBL2651563 0.80 MAPT (0.44) MAPTTHRBKMT2AALDH1A1HPGD
SCHEMBL2656495 0.80 ALDH1A1 (0.48) MAPTGAAKMT2AALDH1A1MEN1

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 8 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
CN-1234025-A 1-phenyl-benzimidazole compounds and their use as BAGA-A receptor modulator NEUROSEARCH AS (DK) 1999-11-03 CN 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 512/4885THRB 1416/4885GAA 660/4885

“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.