SCHEMBL6504817

SCHEMBL6504817

COC(=O)c1ccc(N(C)C(C)=O)c([N+](=O)[O-])c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FSCN1 Q16658 1/20 0.39
COMT P21964 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
KMT2A Q03164 4/20 0.36
TDP1 Q9NUW8 2/20 0.36
ABL1 P00519 1/20 0.35
MEN1 O00255 3/20 0.35
ALDH1A1 P00352 3/20 0.35
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34
TUBA3E Q6PEY2 1/20 0.34
TUBA1A Q71U36 1/20 0.34
TUBA1C Q9BQE3 1/20 0.34

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
SCHEMBL7486165 0.81 KMT2A (0.47) SMN1; SMN2KMT2AMEN1ALDH1A1RAB9A
SCHEMBL9076418 0.79 SMN1; SMN2 (0.46) COMTSMN1; SMN2KMT2ATDP1ABL1
SCHEMBL6491502 0.76 SMN1; SMN2 (0.45) COMTSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL6494743 0.74 MEN1 (0.44) FSCN1SMN1; SMN2KMT2ATDP1MEN1
SCHEMBL27440111 0.72 ALDH1A1 (0.42) SMN1; SMN2KMT2ATDP1MEN1ALDH1A1
SCHEMBL13255351 0.71 SMN1; SMN2 (0.43) COMTSMN1; SMN2KMT2ATDP1MEN1
SCHEMBL18641498 0.69 SLC6A4 (0.45) COMTSMN1; SMN2KMT2ATDP1MEN1
SCHEMBL30610310 0.69 SLC6A4 (0.45) COMTSMN1; SMN2KMT2ATDP1MEN1
SCHEMBL523584 0.69 ABL1 (0.57) SMN1; SMN2ABL1ALDH1A1NPC1RAB9A
SCHEMBL24100061 0.69 TDP1 (0.48) COMTKMT2ATDP1ABL1MEN1

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 5 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
CN-1335847-A Sulfonamide compound and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO (JP) 2002-02-13 CN 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 FSCN1 4387/4885COMT 2406/4885SMN1; SMN2 325/4885

“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.