SCHEMBL4947360

SCHEMBL4947360

Cc1cc2c(c([N+](=O)[O-])c1)N(C=O)CCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
GPR35 Q9HC97 1/20 0.39
ALDH1A1 P00352 3/20 0.37
TSHR P16473 2/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.34
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
ALDH1A3 P47895 1/20 0.33
EED O75530 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MCOLN3 Q8TDD5 2/20 0.32
LMNA P02545 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) MAPTALDH1A1KMT2AMEN1ALDH1A3
SCHEMBL4947372 0.83 ALDH1A1 (0.37) MAPTALDH1A1KMT2AMEN1ALDH1A3
SCHEMBL1177124 0.67 ALDH1A1 (0.58) MAPTALDH1A1TSHRHPGDKMT2A
SCHEMBL16284319 0.66 ALDH1A1 (0.44) MAPTGPR35ALDH1A1HPGDKMT2A
SCHEMBL4947079 0.65 GPR35 (0.43) MAPTGPR35ALDH1A1TSHRCYP3A4
SCHEMBL17659164 0.65 GPR35 (0.43) MAPTGPR35ALDH1A1TSHRCYP3A4
SCHEMBL1105731 0.64 KMT2A (0.55) MAPTGPR35ALDH1A1HPGDKMT2A
SCHEMBL5363352 0.64 SPR (0.35) MAPTALDH1A1HPGDKMT2AMEN1
SCHEMBL9590066 0.63 HTR2A (0.40) MAPTALDH1A1HPGDKMT2AMEN1
SCHEMBL20459463 0.63 ALDH1A1 (0.36) MAPTALDH1A1HPGDKMT2AMEN1

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 MAPT 1620/4885GPR35 256/4885ALDH1A1 1887/4885
US-20080318999-A1 Tricyclic Benzimidazoles and Their Use as Metabotropic Glutamate Receptor Modulators GRM2, GRM1, GRIN2B MAPT 1620/4885GPR35 256/4885ALDH1A1 1887/4885

“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.