SCHEMBL7103836

SCHEMBL7103836

O=[N+]([O-])c1cccc2c1CC=C2c1c[nH]cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.35
S100A4 P26447 2/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 2/20 0.35
RECQL P46063 1/20 0.35
MCL1 Q07820 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
NOS1 P29475 1/20 0.34
KLK3 P07288 1/20 0.34
DYRK1A Q13627 1/20 0.33
CLK1 P49759 1/20 0.33
GSK3B P49841 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
MAOB P27338 1/20 0.33
PDE10A Q9Y233 1/20 0.33
PTPRC P08575 1/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TSHR P16473 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
SCHEMBL7100904 0.88 MAPT (0.33) TDP1S100A4KMT2AMAPTRECQL
SCHEMBL7097632 0.85 MAPT (0.36) TDP1S100A4KMT2AMAPTRECQL
SCHEMBL7167889 0.79 ADRA2A (0.37) TDP1S100A4KMT2AMAPTRECQL
SCHEMBL9514624 0.76 MAOB (0.50) TDP1S100A4KMT2AMAPTDYRK1A
SCHEMBL7608467 0.70 HTR6 (0.31)
Hydrochloric Acid SCHEMBL7608217 0.69 HTR6 (0.30)
SCHEMBL7103384 0.67 MGAM (0.36) TDP1S100A4KMT2AMAPTRECQL
SCHEMBL8611307 0.67 CHRNB2 (0.39) TDP1KMT2AMAPTRECQLNOS1
SCHEMBL9194546 0.66 S100A4 (0.46) TDP1S100A4KMT2AMAPTRECQL
SCHEMBL5269547 0.65 IDO1 (0.56) TDP1MAPTALDH1A1SMN1; SMN2TSHR

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 TDP1 2857/4885S100A4 1602/4885KMT2A 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.