SCHEMBL2648980

SCHEMBL2648980

CCOC(=O)C=Cc1ccc2c(c1)ncn2-c1cccc(N2CCN(C)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.48
HDAC1 Q13547 5/20 0.43
HDAC8 Q9BY41 4/20 0.43
HDAC3 O15379 3/20 0.43
HDAC4 P56524 3/20 0.43
HDAC7 Q8WUI4 3/20 0.43
HDAC2 Q92769 3/20 0.43
HDAC10 Q969S8 3/20 0.43
HDAC11 Q96DB2 3/20 0.43
HDAC6 Q9UBN7 3/20 0.43
HDAC9 Q9UKV0 3/20 0.43
HDAC5 Q9UQL6 3/20 0.43
TTR P02766 1/20 0.41
DPP4 P27487 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GLA P06280 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 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
SCHEMBL2648975 1.00 HPGD (0.48) HPGDHDAC1HDAC8HDAC3HDAC4
SCHEMBL2648809 0.92 HPGD (0.48) HPGDHDAC1TTRDPP4NPC1
SCHEMBL2648805 0.92 HPGD (0.48) HPGDHDAC1TTRDPP4NPC1
SCHEMBL6752628 0.90 HPGD (0.49) HPGDTTRDPP4NPC1RAB9A
SCHEMBL6752626 0.90 HPGD (0.49) HPGDTTRDPP4NPC1RAB9A
SCHEMBL2649783 0.90 HPGD (0.48) HPGDHDAC1HDAC8HDAC3HDAC4
SCHEMBL2649781 0.90 HPGD (0.48) HPGDHDAC1HDAC8HDAC3HDAC4
SCHEMBL5802257 0.87 HPGD (0.51) HPGDHDAC1HDAC8HDAC3HDAC4
SCHEMBL5802253 0.87 HPGD (0.51) HPGDHDAC1HDAC8HDAC3HDAC4
SCHEMBL2649765 0.82 HPGD (0.51) HPGDNPC1RAB9AALDH1A1GLA

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 12 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 claimed
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 claimed
US-6218547-B1 1-phenyl-benzimidazole compounds and their use as GABA-a receptor modulators NEUROSEARCH A/S (DK) 2001-04-17 US claimed
EP-0934281-A1 1-PHENYL-BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS BAGA- A? RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 1999-08-11 EP claimed
WO-1998017651-A1 1-PHENYL-BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS BAGA-A RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 1998-04-30 WO claimed
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 HPGD 1806/4885HDAC1 371/4885HDAC8 368/4885

“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.