SCHEMBL3407475

SCHEMBL3407475

COc1ccccc1N1CCN(CCCCOc2ccc(C(N)=O)c([N+](=O)[O-])c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.61
SLC6A4 P31645 2/20 0.61
DRD2 P14416 10/20 0.60
DRD3 P35462 8/20 0.60
ADRA1A P35348 1/20 0.60
ALDH1A1 P00352 2/20 0.60
KDM4E B2RXH2 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
LMNA P02545 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
MAPT P10636 1/20 0.57
NLRP1 Q9C000 1/20 0.57
DRD4 P21917 5/20 0.57
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
HTR1A P08908 1/20 0.54
HTR7 P34969 1/20 0.54

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
SCHEMBL3407957 0.86 SLC6A2 (0.67) SLC6A2SLC6A4DRD2DRD3ADRA1A
SCHEMBL13160190 0.85 HTR1A (0.57) SLC6A2SLC6A4DRD2DRD3ADRA1A
SCHEMBL3402701 0.84 DRD2 (0.68) SLC6A2SLC6A4DRD2DRD3ADRA1A
SCHEMBL183129 0.82 SLC6A2 (0.57) SLC6A2SLC6A4DRD2DRD3ADRA1A
SCHEMBL1028007 0.78 KDM4E (0.62) SLC6A2SLC6A4DRD2ADRA1AALDH1A1
SCHEMBL11606079 0.78 ALDH1A1 (0.66) DRD2ALDH1A1LMNADRD4HTR1A
Hydrochloric Acid SCHEMBL11460843 0.77 ALDH1A1 (0.65) DRD2ALDH1A1LMNADRD4HTR1A
SCHEMBL2001110 0.76 ALDH1A1 (0.66) SLC6A2SLC6A4DRD2DRD3ADRA1A
SCHEMBL12570054 0.76 HTR1A (0.68) SLC6A2SLC6A4DRD2DRD3ADRA1A
SCHEMBL11609088 0.76 ALDH1A1 (0.63) DRD2ALDH1A1LMNADRD4HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575185-B2 Compositions, synthesis, and methods of utilizing quinazolinedione derivatives REVIVA PHARMACEUTICALS, INC. (US) 2013-11-05 US disclosed
WO-2010099503-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF UTILIZING QUINAZOLINEDIONE DERIVATIVES REVIVA PHARMACEUTICALS, INC. (US) 2010-09-02 WO disclosed
US-20100222359-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF UTILIZING QUINAZOLINEDIONE DERIVATIVES REVIVA PHARMACEUTICALS, INC. 2010-09-02 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-20100222359-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF UTILIZING QUINAZOLINEDIONE DERIVATIVES GRIN2D, GRIK5, GRIK4 SLC6A2 643/4885SLC6A4 458/4885DRD2 82/4885

“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.