SCHEMBL2649002

SCHEMBL2649002

CC(=O)c1ccc2c(c1)ncn2-c1cccc(-c2ccc[n+]([O-])c2)c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 4/20 0.61
HPGD P15428 12/20 0.47
GABRA1 P14867 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 2/20 0.45
GLA P06280 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL12777173 0.88 FGFR1 (0.65) FGFR1HPGDGABRA1GABRG2GABRB3
SCHEMBL2648918 0.88 GABRA1 (0.52) FGFR1HPGDGABRA1GABRG2GABRB3
SCHEMBL2650743 0.83 GABRA1 (0.70) FGFR1HPGDGABRA1GABRG2GABRB3
SCHEMBL2648966 0.81 FGFR1 (0.66) FGFR1HPGDGABRA1GABRG2GABRB3
SCHEMBL2643507 0.80 GABRA1 (0.69) FGFR1HPGDGABRA1GABRG2GABRB3
SCHEMBL2650210 0.80 FGFR1 (0.65) FGFR1HPGDGABRA1GABRG2GABRB3
SCHEMBL2655078 0.78 HPGD (0.38) FGFR1HPGDGABRA1GABRG2GABRB3
SCHEMBL2650727 0.78 FGFR1 (0.68) FGFR1HPGDGABRA1GABRG2GABRB3
SCHEMBL23680877 0.77 FGFR1 (0.76) FGFR1HPGDALDH1A1
SCHEMBL13002361 0.77 FGFR1 (0.76) FGFR1HPGDNPC1RAB9AALDH1A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1023286-A1 BENZIMIDAZOLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THE COMPOUNDS AND THEIR USE NEUROSEARCH A/S (DK) 2000-08-02 EP claimed
WO-1999019323-A1 BENZIMIDAZOLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THE COMPOUNDS AND THEIR USE NEUROSEARCH A/S (DK) 1999-04-22 WO claimed
US-8288418-B2 Benzimidazole derivatives and their use for modulating the GABAA receptor complex NEUROSEARCH A/S (DK) 2012-10-16 US disclosed
US-20110118259-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX SANIONA A/S (DK) 2011-05-19 US disclosed
EP-2319837-A1 Benzimidazole derivatives and their use for modulating the GABAa receptor complex NeuroSearch AS (DK) 2011-05-11 EP disclosed
EP-2001855-B1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH AS (DK) 2010-11-03 EP disclosed
WO-2007110374-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2007-10-04 WO disclosed
EP-1023286-A1 BENZIMIDAZOLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THE COMPOUNDS AND THEIR USE NEUROSEARCH A/S (DK) 2000-08-02 EP disclosed
WO-1999019323-A1 BENZIMIDAZOLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THE COMPOUNDS AND THEIR USE NEUROSEARCH A/S (DK) 1999-04-22 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-20110118259-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX GABRB2, GABRB1, GABRB3 FGFR1 3907/4885HPGD 1966/4885GABRA1 6/4885

“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.