SCHEMBL7103384

SCHEMBL7103384

Cc1nc(C2=CCCc3c2cccc3[N+](=O)[O-])c[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
TDP1 Q9NUW8 3/20 0.36
KLK3 P07288 1/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 3/20 0.34
CLK1 P49759 1/20 0.34
GSK3B P49841 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
TSHR P16473 3/20 0.33
MAPT P10636 4/20 0.33
KMT2A Q03164 3/20 0.33
RECQL P46063 2/20 0.33
MCL1 Q07820 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
S100A4 P26447 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 0.80 MAPT (0.33) TDP1ALDH1A1CLK1GSK3BCDK5
SCHEMBL7097632 0.73 MAPT (0.36) MGAMGAASIMGAM2TDP1
SCHEMBL2212205 0.70 S100A4 (0.43) MGAMGAASIMGAM2TDP1
SCHEMBL7103836 0.67 TDP1 (0.35) TDP1KLK3POLBALDH1A1CLK1
SCHEMBL7581608 0.64 PARP1 (0.57) TDP1POLBMAPTKMT2ARECQL
SCHEMBL166701 0.64 MAPT (0.56) TDP1ALDH1A1SMN1; SMN2TSHRMAPT
SCHEMBL35211484 0.64 MAPT (0.56) TDP1ALDH1A1SMN1; SMN2TSHRMAPT
SCHEMBL5766529 0.63 ALDH1A1 (0.50) MGAMGAASIMGAM2TDP1
SCHEMBL8017036 0.63 MAPT (0.51) GAATDP1POLBALDH1A1SMN1; SMN2
SCHEMBL10602891 0.63 MEN1 (0.49) TDP1POLBALDH1A1SMN1; 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 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 MGAM 3822/4885GAA 2831/4885SI 1122/4885

“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.