SCHEMBL4752379

SCHEMBL4752379

O=C1COc2cc(Cl)cc([N+](=O)[O-])c2N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.40
GRM5 P41594 1/20 0.38
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 5/20 0.35
MMP12 P39900 1/20 0.35
POLB P06746 3/20 0.34
MAPT P10636 5/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MITF O75030 1/20 0.34
HTT P42858 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KMT2A Q03164 2/20 0.33
TSHR P16473 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL14611298 0.87 MMP12 (0.39) GRM5ALDH1A1MMP12MAPTSMN1; SMN2
SCHEMBL19751466 0.82 MMP12 (0.44) RAB9AALDH1A1MMP12POLBMAPT
SCHEMBL31009467 0.82 AKR1B1 (0.39) AKR1B1RAB9AALDH1A1MMP12POLB
SCHEMBL5416950 0.82 AKR1B1 (0.39) AKR1B1RAB9AALDH1A1MMP12POLB
SCHEMBL31009429 0.82 RAB9A (0.39) GRM5RAB9AALDH1A1MMP12POLB
SCHEMBL15828671 0.79 ALDH1A1 (0.37) RAB9AALDH1A1MMP12POLBMAPT
SCHEMBL5418717 0.78 CRHBP (0.47) RAB9AALDH1A1POLBMAPTLMNA
SCHEMBL31731496 0.77 PGR (0.37) AKR1B1RAB9AALDH1A1MMP12POLB
SCHEMBL252672 0.77 PGR (0.37) AKR1B1RAB9AALDH1A1MMP12POLB
SCHEMBL16972790 0.77 ALDH1A1 (0.43) GRM5ALDH1A1MMP12POLBMAPT

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-20080318999-A1 Tricyclic Benzimidazoles and Their Use as Metabotropic Glutamate Receptor Modulators ASTRAZENECA AB (SE) 2008-12-25 US disclosed
US-20080318999-A1 Tricyclic Benzimidazoles and Their Use as Metabotropic Glutamate Receptor Modulators ASTRAZENECA AB (SE) 2008-12-25 US disclosed
EP-1912989-A2 TRICYCLIC BENZIMIDAZOLES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR MODULATORS AstraZeneca AB (SE) 2008-04-23 EP disclosed
WO-2007018998-A2 TRICYCLIC BENZIMIDAZOLES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2007-02-15 WO disclosed
US-20070032469-A1 Tricyclic benzimidazoles and their use as metabotropic glutamate receptor modulators ASTRAZENECA AB (SE) 2007-02-08 US disclosed
US-20070032469-A1 Tricyclic benzimidazoles and their use as metabotropic glutamate receptor modulators ASTRAZENECA AB (SE) 2007-02-08 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 (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-20070032469-A1 Tricyclic benzimidazoles and their use as metabotropic glutamate receptor modulators GRM2, GRM1, GRIN2B AKR1B1 2085/4885GRM5 10/4885RAB9A 3232/4885
US-20080318999-A1 Tricyclic Benzimidazoles and Their Use as Metabotropic Glutamate Receptor Modulators GRM2, GRM1, GRIN2B AKR1B1 2085/4885GRM5 10/4885RAB9A 3232/4885

“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.