SCHEMBL3840411

SCHEMBL3840411

Cn1nc2c(Br)cccc2c1C=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.37
HRH4 Q9H3N8 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 2/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
TLR9 Q9NR96 1/20 0.33
ADORA1 P30542 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
PIM1 P11309 1/20 0.32
PIM3 Q86V86 1/20 0.32
ATM Q13315 1/20 0.32
ALDH1A1 P00352 2/20 0.32
IMPDH2 P12268 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
PABPC1 P11940 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL14231106 0.74 BRD9 (0.41) ENPP1
SCHEMBL359647 0.74 LMNA (0.41) GRM2HRH4L3MBTL1LMNATP53
SCHEMBL14231320 0.73 ENPP1 (0.42) LMNAPIM1ALDH1A1HTTKMT2A
SCHEMBL4360026 0.73 ALDH1A1 (0.41) L3MBTL1LMNATDP1ATMALDH1A1
SCHEMBL3366488 0.73 HRH4 (0.41) GRM2HRH4L3MBTL1LMNATP53
SCHEMBL4699239 0.73 HRH4 (0.44) GRM2HRH4L3MBTL1LMNATP53
SCHEMBL31582651 0.72 LMNA (0.35) L3MBTL1LMNATP53THRBTLR9
SCHEMBL3366932 0.71 CRHR1 (0.52) ALDH1A1KDM4E
SCHEMBL13538521 0.71 CRHR1 (0.40) GRM2ATMALDH1A1KDM4EMEN1
SCHEMBL3367559 0.71 PRNP (0.38) GRM2HRH4L3MBTL1ADORA1TDP1

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-2007753-B1 HETEROCYCLIC GABA ALPHA SUBTYPE SELECTIVE RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2009-11-11 EP disclosed
EP-2007753-B1 HETEROCYCLIC GABA ALPHA SUBTYPE SELECTIVE RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2009-11-11 EP disclosed
CN-101466703-A Heterocyclic GABA-alpha subtype selective receptor modulators HOFFMANN LA ROCHE (CH) 2009-06-24 CN disclosed
EP-2007753-A1 HETEROCYCLIC GABA ALPHA SUBTYPE SELECTIVE RECEPTOR MODULATORS F. Hoffmann-Roche AG (CH) 2008-12-31 EP disclosed
US-7365211-B2 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC (US) 2008-04-29 US disclosed
US-7365211-B2 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC (US) 2008-04-29 US disclosed
WO-2007115966-A1 HETEROCYCLIC GABA ALPHA SUBTYPE SELECTIVE RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-10-18 WO disclosed
WO-2007115966-A1 HETEROCYCLIC GABA ALPHA SUBTYPE SELECTIVE RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-10-18 WO disclosed
US-20070238765-A1 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC 2007-10-11 US disclosed
US-20070238765-A1 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC 2007-10-11 US disclosed
US-20070238765-A1 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC 2007-10-11 US disclosed
WO-2005016892-A1 GABANERGIC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-24 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-20070238765-A1 Heterocyclic GABAA subtype selective receptor modulators GABRA1, GABRA2, GABRA3 GRM2 119/4885HRH4 436/4885L3MBTL1 4738/4885

“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.