SCHEMBL3778638

SCHEMBL3778638

Brc1cn(-c2cccc(I)c2)cn1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.40
MGLL Q99685 1/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NLRP3 Q96P20 1/20 0.38
GRM5 P41594 1/20 0.35
MPO P05164 1/20 0.33
KDM2B Q8NHM5 1/20 0.33
PHF8 Q9UPP1 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33
MPI P34949 1/20 0.33
CYP2E1 P05181 1/20 0.33
CYP2A6 P11509 1/20 0.33
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
MLLT3 P42568 1/20 0.32
MLLT1 Q03111 1/20 0.32
IDO1 P14902 1/20 0.30

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
SCHEMBL38651508 0.82 NPC1 (0.44) MGLLNPC1RAB9ANLRP3GRM5
SCHEMBL27380792 0.82 NPC1 (0.44) MGLLNPC1RAB9ANLRP3GRM5
SCHEMBL17151672 0.79 KMT2A (0.42) FAAHMGLLNPC1RAB9ANLRP3
SCHEMBL27380503 0.79 MLLT3 (0.48) NPC1RAB9ANLRP3GRM5MLLT3
SCHEMBL3779157 0.79 MAPT (0.52) NPC1RAB9ANLRP3GRM5KDM2B
SCHEMBL38651631 0.79 MLLT3 (0.48) NPC1RAB9ANLRP3GRM5MLLT3
SCHEMBL4425401 0.79 PDE3B (0.40) FAAHMGLLGRM5KDM2BPHF8
SCHEMBL3782241 0.78 NPC1 (0.51) FAAHMGLLNPC1RAB9ANLRP3
SCHEMBL16038927 0.77 NPC1 (0.53) NPC1RAB9ANLRP3GRM5CYP2E1
SCHEMBL4425145 0.74 KDM4E (0.50) MLLT3MLLT1

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 13 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
US-20080312303-A1 Imidazole Derivatives and Their Use for Modulating the Gabaa Receptor Complex NEUROSEARCH A/S (DK) 2008-12-18 US disclosed
US-20080312303-A1 Imidazole Derivatives and Their Use for Modulating the Gabaa Receptor Complex NEUROSEARCH A/S (DK) 2008-12-18 US disclosed
US-20080312303-A1 Imidazole Derivatives and Their Use for Modulating the Gabaa Receptor Complex NEUROSEARCH A/S (DK) 2008-12-18 US disclosed
EP-1940801-A2 IMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA-A RECEPTOR COMPLEX NeuroSearch A/S (DK) 2008-07-09 EP 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
WO-2007042543-A2 IMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA-A 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 (2 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 FAAH 1838/4885MGLL 3825/4885NPC1 774/4885
US-20080312303-A1 Imidazole Derivatives and Their Use for Modulating the Gabaa Receptor Complex GABRB2, GABRB1, GABRB3 FAAH 1492/4885MGLL 3884/4885NPC1 839/4885

“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.