SCHEMBL970040

SCHEMBL970040

COc1cccc(-n2cc(C)nc2Br)c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
MAPT P10636 5/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
PRMT1 Q99873 1/20 0.35
LMNA P02545 2/20 0.34
MAPK1 P28482 1/20 0.34
HPGD P15428 1/20 0.34
KDM4E B2RXH2 2/20 0.34
HTT P42858 1/20 0.34
POLB P06746 1/20 0.34
CTDSP1 Q9GZU7 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
SCHEMBL8048189 0.87 JAK2 (0.33) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL970413 0.82 CRHR1 (0.36) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3330603 0.81 ALOX5 (0.33) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL968700 0.81 KMT2A (0.33) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL969679 0.81 RXFP1 (0.41) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL3324746 0.79 PTGS2 (0.35) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL3325965 0.78 KMT2A (0.38) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3326254 0.77 CRHR1 (0.32) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL13361960 0.76 NPC1 (0.36) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3325859 0.74 AMY1A (0.32) ALDH1A1MAPTMEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7875618-B2 8-chloro-3,4-dimethyl-1-(2- methylphenyl)imidazo[1,5- a]quinoxaline; inhibitors of phosphodiesterase 10; for treatment of central nervous system disorders (cognitive deficits, social phobia, reduced vigilance, obesity and psychosis) WYETH (US) 2011-01-25 US disclosed
US-7875618-B2 8-chloro-3,4-dimethyl-1-(2- methylphenyl)imidazo[1,5- a]quinoxaline; inhibitors of phosphodiesterase 10; for treatment of central nervous system disorders (cognitive deficits, social phobia, reduced vigilance, obesity and psychosis) WYETH (US) 2011-01-25 US disclosed
EP-2225248-A1 ARYL AND HETEROARYL FUSED IMIDAZO[1,5-A]PYRAZINES AS INHIBITORS OF PHOSPHODIESTERASE 10 Wyeth LLC (US) 2010-09-08 EP disclosed
WO-2009070584-A1 ARYL AND HETEROARYL FUSED IMIDAZO[1,5-A]PYRAZINES AS INHIBITORS OF PHOSPHODIESTERASE 10 WYETH (US) 2009-06-04 WO disclosed
US-20090143367-A1 ARYL AND HETEROARYL FUSED IMIDAZO[1,5-a]PYRAZINES AS INHIBITORS OF PHOSPHODIESTERASE 10 ELBION GMBH (DE) 2009-06-04 US disclosed
US-20090143367-A1 ARYL AND HETEROARYL FUSED IMIDAZO[1,5-a]PYRAZINES AS INHIBITORS OF PHOSPHODIESTERASE 10 ELBION GMBH (DE) 2009-06-04 US 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-20090143367-A1 ARYL AND HETEROARYL FUSED IMIDAZO[1,5-a]PYRAZINES AS INHIBITORS OF PHOSPHODIESTERASE 10 PDE12, PDE5A, PDE10A ALDH1A1 409/4885TDP1 39/4885MAPT 3499/4885

“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.