SCHEMBL7105218

SCHEMBL7105218

Cc1cc(C(O)c2cn(S(=O)(=O)N(C)C)cn2)c(C)c([N+](=O)[O-])c1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
GPR35 Q9HC97 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 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
SCHEMBL7103065 0.90 MEN1 (0.34) MAPTALDH1A1MEN1KMT2A
SCHEMBL7103291 0.85 TDP1 (0.38) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL7166942 0.79 MEN1 (0.38) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL7101214 0.76 GPR35 (0.32) MAPTLMNAGPR35ALDH1A1
SCHEMBL7102030 0.76 ALDH1A1 (0.35) MAPTLMNAALDH1A1KMT2A
SCHEMBL31040273 0.74 CA12 (0.42) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL7100452 0.73 KMT2A (0.44) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL31531675 0.69 HTT (0.40) MEN1KMT2A
SCHEMBL9876151 0.69 HTT (0.36) ALDH1A1
SCHEMBL7100988 0.68 CYP1A2 (0.32) MAPTALDH1A1MEN1KMT2A

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 MAPT 4075/4885LMNA 3579/4885GPR35 612/4885

“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.