SCHEMBL4947372

SCHEMBL4947372

O=CN1CCCc2cc(F)cc([N+](=O)[O-])c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
MAPK1 P28482 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 7/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
LMNA P02545 3/20 0.33
ALDH1A3 P47895 1/20 0.33
PKM P14618 1/20 0.33
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
GAA P10253 2/20 0.32
MITF O75030 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL4945237 0.83 ALDH1A1 (0.40) ALDH1A1MAPK1L3MBTL1MAPTSMN1; SMN2
SCHEMBL4947360 0.83 MAPT (0.44) ALDH1A1MAPTLMNAALDH1A3MEN1
SCHEMBL22868343 0.73 MEN1 (0.32) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL4754162 0.73 RAPGEF3 (0.38) ALDH1A1MAPK1MAPTSMN1; SMN2CYP1A2
SCHEMBL4754558 0.67 NOTUM (0.46) ALDH1A1MAPTRAB9AMEN1KMT2A
SCHEMBL18883957 0.67 RAB9A (0.40) ALDH1A1MAPK1MAPTSMN1; SMN2CYP1A2
SCHEMBL6638146 0.65 PARP1 (0.42) ALDH1A1MAPK1L3MBTL1MAPTSMN1; SMN2
SCHEMBL10411260 0.64 KMT2A (0.55) ALDH1A1MAPK1L3MBTL1MAPTSMN1; SMN2
SCHEMBL5363352 0.64 SPR (0.35) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL23846780 0.64 LMNA (0.48) ALDH1A1MAPK1L3MBTL1MAPTSMN1; SMN2

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 7 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
US-20080318999-A1 Tricyclic Benzimidazoles and Their Use as Metabotropic Glutamate Receptor Modulators ASTRAZENECA AB (SE) 2008-12-25 US 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
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 ALDH1A1 1887/4885MAPK1 2185/4885L3MBTL1 3307/4885
US-20080318999-A1 Tricyclic Benzimidazoles and Their Use as Metabotropic Glutamate Receptor Modulators GRM2, GRM1, GRIN2B ALDH1A1 1887/4885MAPK1 2185/4885L3MBTL1 3307/4885

“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.