SCHEMBL7103695

SCHEMBL7103695

COc1ccc([N+](=O)[O-])c2c1C(c1c[nH]cn1)=CCC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.33
ALDH1A1 P00352 5/20 0.33
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
LMNA P02545 3/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
CYP1A2 P05177 1/20 0.32
PDGFRB P09619 1/20 0.31
PDGFRA P16234 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ACHE P22303 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 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
SCHEMBL7102993 0.81 MEN1 (0.37) TDP1KDM4EMEN1KMT2ACYP1A2
SCHEMBL7100904 0.76 MAPT (0.33) ALDH1A1TDP1KMT2ACYP1A2MAPT
SCHEMBL7097632 0.70 MAPT (0.36) ALDH1A1TDP1GAAKMT2ACYP1A2
SCHEMBL3607301 0.68 ALDH1A1 (0.65) SIRT6ALDH1A1TDP1KDM4EGLA
SCHEMBL26259644 0.67 HIF1A (0.41) ALDH1A1TDP1KDM4EGLAGAA
SCHEMBL7102164 0.66 ALDH1A1 (0.53) SIRT6ALDH1A1TDP1KDM4EGLA
SCHEMBL12151473 0.65 HTT (0.50) ALDH1A1TDP1HPGDLMNAMEN1
SCHEMBL7982488 0.65 ADRA2A (0.56)
SCHEMBL7142509 0.64 CYP1A2 (0.37) TDP1KDM4EMEN1KMT2ACYP1A2
SCHEMBL7102908 0.63 MEN1 (0.36) ALDH1A1TDP1KDM4EMEN1KMT2A

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 SIRT6 2197/4885ALDH1A1 263/4885TDP1 2857/4885

“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.