SCHEMBL7103392

SCHEMBL7103392

CN(C)S(=O)(=O)n1cnc(Cc2cc(Cl)cc([N+](=O)[O-])c2Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
VCAM1 P19320 4/20 0.33
POLB P06746 3/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KMT2A Q03164 2/20 0.32
ATM Q13315 1/20 0.32
MAPT P10636 4/20 0.32
MEN1 O00255 1/20 0.31
PKM P14618 2/20 0.31

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
SCHEMBL7103565 0.82 FGFR1 (0.31)
SCHEMBL7101214 0.79 GPR35 (0.32) LMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL7098549 0.77 BRAF (0.33) LMNAALDH1A1
SCHEMBL7097377 0.77 TDP1 (0.39) SMN1; SMN2ALDH1A1MAPTPKM
SCHEMBL7148966 0.77 MAPT (0.32) VCAM1LMNAKMT2AMAPTMEN1
SCHEMBL7103262 0.74 SMN1; SMN2 (0.34) POLBLMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL7104932 0.68 KDM4E (0.32)
SCHEMBL7098749 0.66 LMNA (0.31) LMNA
SCHEMBL22075719 0.66 MEN1 (0.41) LMNASMN1; SMN2ALDH1A1NPSR1KMT2A
SCHEMBL9734970 0.66 HTT (0.41) SMN1; SMN2NPSR1KMT2AMEN1

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 NOS3 543/4885NOS1 233/4885NOS2 416/4885

“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.