SCHEMBL3779157

SCHEMBL3779157

Nc1cccc(-n2cnc(Br)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
CASP1 P29466 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP7 P55210 1/20 0.41
KMT2A Q03164 1/20 0.41
ADRA2C P18825 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NLRP3 Q96P20 1/20 0.38
CYP3A4 P08684 1/20 0.37
RECQL P46063 1/20 0.37
TSHR P16473 1/20 0.36
GRM5 P41594 1/20 0.35
FGFR1 P11362 1/20 0.35
NR2E1 Q9Y466 1/20 0.35
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34

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) MEN1ALDH1A1KMT2ANPC1RAB9A
SCHEMBL27380792 0.82 NPC1 (0.44) MEN1ALDH1A1KMT2ANPC1RAB9A
SCHEMBL17151672 0.79 KMT2A (0.42) MAPTALDH1A1KMT2ANPC1RAB9A
SCHEMBL29614831 0.79 NR2E1 (0.55) MAPTCASP1KDM4EMEN1ALDH1A1
SCHEMBL38651631 0.79 MLLT3 (0.48) MEN1ALDH1A1KMT2ANPC1RAB9A
SCHEMBL3778638 0.79 FAAH (0.40) NPC1RAB9ANLRP3GRM5KDM2B
SCHEMBL6803732 0.79 NR2E1 (0.55) MAPTCASP1KDM4EMEN1ALDH1A1
SCHEMBL27380503 0.79 MLLT3 (0.48) MEN1ALDH1A1KMT2ANPC1RAB9A
SCHEMBL22466033 0.78 MAPT (0.46) MAPTKDM4EMEN1ALDH1A1ALOX15
SCHEMBL3782241 0.78 NPC1 (0.51) ALDH1A1NPC1RAB9ANLRP3GRM5

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 MAPT 1150/4885CASP1 3514/4885KDM4E 3121/4885
US-20080312303-A1 Imidazole Derivatives and Their Use for Modulating the Gabaa Receptor Complex GABRB2, GABRB1, GABRB3 MAPT 820/4885CASP1 3024/4885KDM4E 2511/4885

“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.