SCHEMBL7104909

SCHEMBL7104909

COc1ccc(C(O)c2c[nH]cn2)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 3/20 0.43
GRM4 Q14833 3/20 0.43
GRM6 O15303 2/20 0.43
GRIN2D O15399 2/20 0.40
GRIN3B O60391 2/20 0.40
GRIN1 Q05586 2/20 0.40
GRIN2A Q12879 2/20 0.40
GRIN2B Q13224 2/20 0.40
GRIN2C Q14957 2/20 0.40
GRIN3A Q8TCU5 2/20 0.40
KMT2A Q03164 1/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
ALDH1A1 P00352 7/20 0.39
POLB P06746 1/20 0.39
TUBB4A P04350 2/20 0.39
TUBB P07437 2/20 0.39
TUBA3C P0DPH7 2/20 0.39
TUBA1B P68363 2/20 0.39
TUBA4A P68366 2/20 0.39

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
SCHEMBL7159560 0.79 ROCK2 (0.38) KMT2APDGFRBPDGFRATUBB1HTT
SCHEMBL7159601 0.79 ACHE (0.38) GRM4KMT2AALDH1A1HTTCYP3A4
SCHEMBL4821154 0.78 GRIN2D (0.51) GRM8GRM4GRM6GRIN2DGRIN3B
SCHEMBL7161306 0.76 ACHE (0.38) GRM4KMT2APKMHTTCYP3A4
SCHEMBL7228596 0.76 ACHE (0.38) GRM4KMT2AHTTCYP3A4TSHR
SCHEMBL29192875 0.75 GRM8 (0.52) GRM8GRM4GRM6GRIN2DGRIN3B
SCHEMBL6929116 0.75 CASR (0.39) KMT2AHTTSMN1; SMN2
SCHEMBL4820656 0.75 TUBB4A (0.56) GRM8GRM4GRM6GRIN2DGRIN3B
SCHEMBL4816874 0.75 GRM8 (0.47) GRM8GRM4GRM6GRIN2DGRIN3B
SCHEMBL7247069 0.74 ADRB3 (0.43) KMT2AALDH1A1SMN1; SMN2

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 GRM8 1596/4885GRM4 1503/4885GRM6 2923/4885

“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.