SCHEMBL7103262

SCHEMBL7103262

COc1c(Cc2cn(S(=O)(=O)N(C)C)cn2)cccc1[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.34
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
FGFR1 P11362 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR4 P22455 1/20 0.33
FGFR3 P22607 1/20 0.33
KDR P35968 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 3/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 2/20 0.32
TXNRD1 Q16881 2/20 0.32

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
SCHEMBL7097377 0.86 TDP1 (0.39) SMN1; SMN2KDM4EMAPTALDH1A1ENPP1
SCHEMBL7101214 0.75 GPR35 (0.32) SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL7103392 0.74 NOS3 (0.34) SMN1; SMN2MAPTKMT2AALDH1A1LMNA
SCHEMBL7101641 0.73 MEN1 (0.39) SMN1; SMN2KDM4EHTTMAPTKMT2A
SCHEMBL22075719 0.69 MEN1 (0.41) SMN1; SMN2KDM4EHTTFGFR1FGFR2
SCHEMBL14228270 0.68 ALDH1A1 (0.50) SMN1; SMN2KDM4EHTR1AADRA1DADRA1A
SCHEMBL7103291 0.67 TDP1 (0.38) SMN1; SMN2KDM4EMAPTKMT2ANPC1
SCHEMBL4132222 0.66 ALDH1A1 (0.47) SMN1; SMN2KDM4EHTR1AADRA1DADRA1A
SCHEMBL5201436 0.66 ALDH1A1 (0.47) SMN1; SMN2KDM4EHTTHTR1AADRA1D
SCHEMBL31347487 0.66 ALDH1A1 (0.47) SMN1; SMN2KDM4EHTTHTR1AADRA1D

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 3 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
EP-1259491-A1 4-IMIDAZOLE DERIVATIVES OF BENZYL AND RESTRICTED BENZYL SULFONAMIDES, SULFAMIDES, UREAS, CARBAMATES AND AMIDES AND THEIR USE AS ALPHA-1A AGONISTS Abbott Laboratories (US) 2002-11-27 EP disclosed
WO-2001060802-A1 4-IMIDAZOLE DERIVATIVES OF BENZYL AND RESTRICTED BENZYL SULFONAMIDES, SULFAMIDES, UREAS, CARBAMATES, AND AMIDES AND THEIR USE AS ALPHA-1A AGONISTS ABBOTT LABORATORIES (US) 2001-08-23 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 SMN1; SMN2 639/4885KDM4E 823/4885HTT 4621/4885

“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.