SCHEMBL7097632

SCHEMBL7097632

O=[N+]([O-])c1cccc2c1CCCC=C2c1c[nH]cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
MCL1 Q07820 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
S100A4 P26447 2/20 0.32
TSHR P16473 1/20 0.32
DYRK1A Q13627 1/20 0.31
CLK1 P49759 1/20 0.31
GSK3B P49841 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
MAOB P27338 1/20 0.31
CNR1 P21554 1/20 0.31
CYP1A2 P05177 2/20 0.30
CYP2C9 P11712 2/20 0.30

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
SCHEMBL7100904 0.93 MAPT (0.33) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL7103836 0.85 TDP1 (0.35) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL7167889 0.75 ADRA2A (0.37) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL7103384 0.73 MGAM (0.36) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL9514624 0.72 MAOB (0.50) MAPTKMT2AS100A4DYRK1ACLK1
SCHEMBL7099249 0.70 P2RX3 (0.35) MAPTCNR1ALDH1A1
SCHEMBL768847 0.67 PDPK1 (0.34) DYRK1A
SCHEMBL7098572 0.67 ADRA1A (0.38)
SCHEMBL4573599 0.66 MAPT (0.53) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL768880 0.66 MAPT (0.53) MAPTRECQLKMT2AMCL1RXFP1

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
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
EP-1102754-A1 IMIDAZOLES AND RELATED COMPOUNDS AS ALPHA-1A AGONISTS ABBOTT LABORATORIES (US) 2001-05-30 EP disclosed
WO-2000007997-A1 IMIDAZOLES AND RELATED COMPOUNDS AS α1A AGONISTS ABBOTT LABORATORIES (US) 2000-02-17 WO 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 MAPT 4075/4885RECQL 4454/4885KMT2A 1672/4885

“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.