SCHEMBL7103065

SCHEMBL7103065

Cc1c(C(O)c2cn(S(=O)(=O)N(C)C)cn2)cc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP1A2 P05177 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
SCHEMBL7105218 0.90 MAPT (0.35) MEN1ALDH1A1MAPTKMT2A
SCHEMBL7103291 0.83 TDP1 (0.38) MEN1ALDH1A1MAPTKMT2ACYP1A2
SCHEMBL7100988 0.77 CYP1A2 (0.32) MEN1ALDH1A1MAPTHTTKMT2A
SCHEMBL7166942 0.77 MEN1 (0.38) MEN1ALDH1A1MAPTHTTKMT2A
SCHEMBL7102030 0.74 ALDH1A1 (0.35) ALDH1A1MAPTKMT2AL3MBTL1CYP1A2
SCHEMBL31040273 0.73 CA12 (0.42) MEN1ALDH1A1MAPTHTTKMT2A
SCHEMBL7100452 0.72 KMT2A (0.44) MEN1ALDH1A1MAPTHTTKMT2A
SCHEMBL7101214 0.68 GPR35 (0.32) ALDH1A1MAPT
SCHEMBL31531675 0.68 HTT (0.40) MEN1HTTKMT2A
SCHEMBL9876151 0.67 HTT (0.36) ALDH1A1HTT

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 MEN1 3832/4885ALDH1A1 263/4885MAPT 4075/4885

“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.