SCHEMBL3221820

SCHEMBL3221820

Cc1cc2c(cc1[N+](=O)[O-])C(=O)N1CCCC1O2

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.56
MAPT P10636 3/20 0.40
ALDH1A1 P00352 5/20 0.38
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
AKR1B1 P15121 1/20 0.35
MCOLN3 Q8TDD5 2/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 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
SCHEMBL3216790 0.83 GRIA1 (0.54) GRIA1MAPTALDH1A1TDP1
SCHEMBL13492419 0.83 GRIA1 (0.54) GRIA1MAPTALDH1A1HPGDTDP1
SCHEMBL13492426 0.83 GRIA1 (0.40) GRIA1MAPTALDH1A1AKR1B1CYP1A2
SCHEMBL8314975 0.80 GRIA1 (0.82) GRIA1MAPTALDH1A1HPGD
SCHEMBL31562963 0.78 GRIA1 (0.55) GRIA1ALDH1A1TDP1CHRNB4CHRNA3
SCHEMBL31562955 0.78 GRIA1 (0.55) GRIA1MAPTALDH1A1CHRNB4CHRNA3
SCHEMBL4070655 0.76 ALDH1A1 (0.37) MAPTALDH1A1HPGDTDP1AKR1B1
SCHEMBL19166896 0.74 GRIA1 (0.60) GRIA1
SCHEMBL31562972 0.72 GRIA1 (0.84) GRIA1MAPTALDH1A1
SCHEMBL8367590 0.72 GRIA1 (0.52) GRIA1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114158-B1 3-SUBSTITUTED-[1,2,3]BENZOTRIAZINONE COMPOUNDS FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES CORTEX PHARMA INC (US) 2012-08-08 EP disclosed
US-20100041647-A1 3-Substituted-[1,2,3]-Benzotriazinone compounds for enhancing glutamatergic synaptic responses CORTEX PHARMACEUTICALS, INC. (US) 2010-02-18 US disclosed
US-20100041647-A1 3-Substituted-[1,2,3]-Benzotriazinone compounds for enhancing glutamatergic synaptic responses CORTEX PHARMACEUTICALS, INC. (US) 2010-02-18 US disclosed
US-20100041647-A1 3-Substituted-[1,2,3]-Benzotriazinone compounds for enhancing glutamatergic synaptic responses CORTEX PHARMACEUTICALS, INC. (US) 2010-02-18 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-20100041647-A1 3-Substituted-[1,2,3]-Benzotriazinone compounds for enhancing glutamatergic synaptic responses GRIN1, GRIN3B, GABRE GRIA1 26/4885MAPT 482/4885ALDH1A1 2814/4885

“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.