SCHEMBL6493386

SCHEMBL6493386

CC(=O)N(Cc1ccc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1Cl)c1nc(Br)ccc1[N+](=O)[O-]

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 1/20 0.31
CYP19A1 P11511 1/20 0.31
MAPT P10636 2/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
GPR55 Q9Y2T6 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
SCHEMBL6492327 0.83 KMT2A (0.34) MAPTLMNAHTTNPSR1GPR55
SCHEMBL6300189 0.82 TSHR (0.41) MAPTLMNACYP2D6CYP2C19HTT
SCHEMBL6495379 0.81 DCTPP1 (0.36) TXNRD1MAPTLMNAHTTNPSR1
SCHEMBL6298753 0.80 MEN1 (0.41) CYP19A1MAPT
SCHEMBL6301015 0.78 EIF4E (0.35)
SCHEMBL6299835 0.78 VCAM1 (0.41) CYP19A1MAPTLMNAHTTNPSR1
SCHEMBL6299192 0.78 KMT2A (0.45) MAPTLMNA
SCHEMBL25826515 0.77 BACE1 (0.33) TXNRD1MAPTLMNAHTTNPSR1
SCHEMBL6299180 0.77 PTGES (0.37) MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL6503124 0.73 DCTPP1 (0.35) MAPTLMNAHTTNPSR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6890934-B2 Sulfonamide compounds and uses thereof as medicines FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-05-10 US disclosed
US-20030171396-A1 Sulfonamide compounds and uses thereof as medicines FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-09-11 US disclosed
US-6573274-B1 Treatment of the diseases curable based on a hypoglycemic action, and the diseases curable based on a cGMP-PDE inhibitory action, a smooth muscle relaxing action, a bronchodilating action, a vasodilating action, a smooth muscle FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-06-03 US disclosed
EP-1136492-A1 SULFONAMIDE COMPOUNDS AND USES THEREOF AS MEDICINES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-09-26 EP 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-20030171396-A1 Sulfonamide compounds and uses thereof as medicines PDE2A, PDE3A, PDE5A TXNRD1 1784/4885CYP19A1 809/4885MAPT 4144/4885

“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.