SCHEMBL7167889

SCHEMBL7167889

O=[N+]([O-])c1cccc2c1OCC=C2c1c[nH]cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 4/20 0.37
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
ADRA1A P35348 2/20 0.36
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
F2 P00734 1/20 0.33
C1R P00736 1/20 0.33
S100A4 P26447 2/20 0.33
RECQL P46063 1/20 0.33
MCL1 Q07820 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
KLK3 P07288 1/20 0.32
DYRK1A Q13627 1/20 0.32
CLK1 P49759 1/20 0.32
GSK3B P49841 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
MAOB P27338 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
SCHEMBL7103836 0.79 TDP1 (0.35) MAPTKMT2AMEN1F2C1R
SCHEMBL30543410 0.79 ADRA2A (0.57) ADRA2AADRA2BADRA2CADRA1A
SCHEMBL30543415 0.79 ADRA2A (0.43) ADRA2AADRA2BADRA2CADRA1A
SCHEMBL30543411 0.79 ADRA2A (0.59) ADRA2AADRA2BADRA2CADRA1A
SCHEMBL29222596 0.79 ADRA2A (0.59) ADRA2AADRA2BADRA2CADRA1A
SCHEMBL29222710 0.79 ADRA2A (0.43) ADRA2AADRA2BADRA2CADRA1A
SCHEMBL29222724 0.79 ADRA2A (0.57) ADRA2AADRA2BADRA2CADRA1A
SCHEMBL30543422 0.79 ADRA2A (0.57) ADRA2AADRA2BADRA2CADRA1A
SCHEMBL29222591 0.79 ADRA2A (0.57) ADRA2AADRA2BADRA2CADRA1A
SCHEMBL29222587 0.79 ADRA2A (0.57) ADRA2AADRA2BADRA2CADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030073850-A1 4-Imidazole derivatives of benzyl and restricted benzyl sulfonamides, sulfamides, ureas, carbamates, and amides and their use ABBOTT LABORATORIES 2003-04-17 US disclosed
US-6503935-B1 Treating urinary incontinence or retrograde ejaculation ABBOTT LABORATORIES 2003-01-07 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-20030073850-A1 4-Imidazole derivatives of benzyl and restricted benzyl sulfonamides, sulfamides, ureas, carbamates, and amides and their use ADRA1D, ADRB1, ADRA1A ADRA2A 8/4885ADRA2B 13/4885ADRA2C 5/4885

“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.