SCHEMBL7100197

SCHEMBL7100197

Cc1nc(C2=CCCc3c2cccc3[N+](=O)[O-])cn1C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
P2RX3 P56373 1/20 0.33
GRM5 P41594 2/20 0.32
GRM1 Q13255 1/20 0.32
F2RL3 Q96RI0 1/20 0.32
HTT P42858 1/20 0.32
MET P08581 1/20 0.32
GPR119 Q8TDV5 2/20 0.31
ELANE P08246 1/20 0.31
PDK4 Q16654 1/20 0.31
SCN9A Q15858 1/20 0.31
SCN4A P35499 1/20 0.31
SCN3A Q9NY46 1/20 0.31
UCHL1 P09936 1/20 0.31
SMARCA2 P51531 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
SCHEMBL7101753 0.84 SMARCA2 (0.38) PARP1TNKS2PARP2GRM5GRM1
SCHEMBL7165797 0.83 MAPT (0.35) MAPTALDH1A1LMNAGRM5GRM1
SCHEMBL7103436 0.83 P2RX3 (0.36) PARP1TNKS2PARP2MAPTALDH1A1
SCHEMBL7099249 0.78 P2RX3 (0.35) MAPTALDH1A1LMNAP2RX3GRM5
SCHEMBL7097255 0.73 MET (0.36) MAPTALDH1A1LMNAP2RX3F2RL3
SCHEMBL7103384 0.72 MGAM (0.36) MAPTALDH1A1
SCHEMBL25081186 0.69 SMARCA2 (0.46) GPR119SCN9ASCN4ASCN3ASMARCA2
SCHEMBL7100904 0.67 MAPT (0.33) MAPTALDH1A1
SCHEMBL7101646 0.66 CCNT1 (0.33) MAPTALDH1A1LMNAP2RX3GRM5
SCHEMBL7097233 0.65 GPR119 (0.35) MAPTALDH1A1LMNAP2RX3HTT

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 1 patent. 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

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 PARP1 3891/4885TNKS2 4194/4885PARP2 4324/4885

“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.