SCHEMBL3782928

SCHEMBL3782928

CC(=O)NNC(=O)c1cn(-c2cccc(Br)c2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLLT3 P42568 1/20 0.49
MLLT1 Q03111 1/20 0.49
MAPT P10636 4/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 2/20 0.40
UBE2N P61088 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
ALPL P05186 1/20 0.39
KMT2A Q03164 3/20 0.39
PDE4A P27815 3/20 0.39
KCNH2 Q12809 2/20 0.39
USP30 Q70CQ3 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 2/20 0.39
MITF O75030 1/20 0.38
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL1885458 0.80 KDM4E (0.50) MLLT3MLLT1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL2498714 0.80 USP30 (0.47) MLLT3MLLT1MAPTKDM4EL3MBTL1
SCHEMBL12191229 0.78 NOTUM (0.43) MLLT3MLLT1MAPTALDH1A1KDM4E
SCHEMBL2498082 0.75 MLLT3 (0.44) MLLT3MLLT1KDM4EKMT2APDE4A
SCHEMBL2497315 0.75 SMN1; SMN2 (0.50) MLLT3MLLT1MAPTALDH1A1TDP1
SCHEMBL1881082 0.75 NOTUM (0.65) MAPTALDH1A1L3MBTL1GAAKMT2A
SCHEMBL2498719 0.74 MLLT3 (0.38) MLLT3MLLT1MAPTKDM4EGAA
SCHEMBL38651508 0.73 NPC1 (0.44) ALDH1A1L3MBTL1KMT2APDE4AMEN1
SCHEMBL27380792 0.73 NPC1 (0.44) ALDH1A1L3MBTL1KMT2APDE4AMEN1
SCHEMBL1877117 0.71 NOTUM (0.51) MAPTALDH1A1KDM4ETDP1L3MBTL1

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
US-7858649-B2 Imidazole derivatives and their use for modulating the GABAA receptor complex NEUROSEARCH A/S (DK) 2010-12-28 US disclosed
US-7858649-B2 Imidazole derivatives and their use for modulating the GABAA receptor complex NEUROSEARCH A/S (DK) 2010-12-28 US disclosed
US-7858649-B2 Imidazole derivatives and their use for modulating the GABAA receptor complex NEUROSEARCH A/S (DK) 2010-12-28 US disclosed
US-20090163566-A1 Imidazole Derivatives and their use for Modulating the Gabaa Receptor Complex NEUROSEARCH A/S (DE) 2009-06-25 US disclosed
US-20090163566-A1 Imidazole Derivatives and their use for Modulating the Gabaa Receptor Complex NEUROSEARCH A/S (DE) 2009-06-25 US disclosed
US-20090163566-A1 Imidazole Derivatives and their use for Modulating the Gabaa Receptor Complex NEUROSEARCH A/S (DE) 2009-06-25 US disclosed
EP-1940829-A2 IMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NeuroSearch A/S (DK) 2008-07-09 EP disclosed
WO-2007042544-A2 IMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2007-04-19 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-20090163566-A1 Imidazole Derivatives and their use for Modulating the Gabaa Receptor Complex GABRB2, GABRB1, GABRB3 MLLT3 3398/4885MLLT1 3933/4885MAPT 1150/4885

“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.