SCHEMBL3402701

SCHEMBL3402701

NC(=O)c1ccc(OCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1[N+](=O)[O-]

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 18/20 0.68
HTR2A P28223 11/20 0.68
HTR1A P08908 9/20 0.68
DRD3 P35462 2/20 0.55
HTR3E A5X5Y0 1/20 0.54
MEN1 O00255 1/20 0.54
MLNR O43193 1/20 0.54
HTR3B O95264 1/20 0.54
ABCB11 O95342 1/20 0.54
ESR1 P03372 1/20 0.54
PGR P06401 1/20 0.54
ADRB2 P07550 1/20 0.54
CHRM2 P08172 1/20 0.54
ABCB1 P08183 1/20 0.54
ADRB1 P08588 1/20 0.54
ADRA2A P08913 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
GAA P10253 1/20 0.54
AR P10275 1/20 0.54
MAPT P10636 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
SCHEMBL3402307 0.86 DRD2 (0.74) DRD2HTR2AHTR1ADRD3HTR3E
SCHEMBL246427 0.85 DRD2 (0.66) DRD2HTR2AHTR1ADRD3HTR3E
SCHEMBL3407475 0.84 SLC6A2 (0.61) DRD2HTR1ADRD3MEN1MAPT
SCHEMBL13160190 0.83 HTR1A (0.57) DRD2HTR2AHTR1ADRD3MEN1
SCHEMBL28621606 0.83 DRD2 (0.58) DRD2HTR2AHTR1ADRD3HTR3E
SCHEMBL14494782 0.83 DRD2 (0.58) DRD2HTR2AHTR1ADRD3DRD4
SCHEMBL182966 0.82 DRD2 (0.57) DRD2HTR2AHTR1ADRD3DRD1
SCHEMBL28490438 0.81 DRD2 (0.66) DRD2HTR2AHTR1ADRD3HTR3E
SCHEMBL14494805 0.80 DRD2 (0.56) DRD2HTR2AHTR1ADRD3DRD4
SCHEMBL28485682 0.76 DRD2 (0.72) DRD2HTR2AHTR1ADRD3HTR3E

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 DRD2 82/4885HTR2A 195/4885HTR1A 398/4885

“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.