SCHEMBL6280127

SCHEMBL6280127

N#Cc1cccc(NC(=O)Nc2ccc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 15/20 0.60
CA1 P00915 12/20 0.60
CA9 Q16790 4/20 0.60
CA7 P43166 2/20 0.60
CA12 O43570 4/20 0.56
TP53 P04637 1/20 0.56
TSHR P16473 1/20 0.56
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54
EPHX2 P34913 1/20 0.51
NR1H4 Q96RI1 1/20 0.51
NAMPT P43490 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL13196624 0.86 CA2 (0.74) CA2CA1CA9CA12MEN1
SCHEMBL2762150 0.86 NAMPT (0.62) CA2CA1CA9CA7CA12
SCHEMBL6280187 0.83 TP53 (0.62) CA2CA1CA9CA7CA12
SCHEMBL6284953 0.80 TP53 (0.62) CA2CA1CA9CA7CA12
SCHEMBL2762125 0.80 CA2 (0.60) CA2CA1CA9CA7CA12
SCHEMBL2762707 0.80 CA2 (0.64) CA2CA1CA9CA12MEN1
SCHEMBL2762384 0.78 CA2 (0.65) CA2CA1CA9CA12MEN1
SCHEMBL2761963 0.76 NAMPT (0.68) TSHRMEN1KMT2AALDH1A1MAPT
SCHEMBL7249908 0.75 MEN1 (0.69) MEN1KMT2AALDH1A1MAPTNAMPT
SCHEMBL5094235 0.75 ROCK2 (0.59) KMT2AMAPTEPHX2NR1H4NAMPT

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-6949567-B2 Compounds for the treatment of protozoal diseases 4SC AG (DE) 2005-09-27 US disclosed
EP-1395548-A1 DERIVATIVES OF DIPHENYLUREA, DIPHENYLOXALIC ACID DIAMIDE AND DIPHENYLSULFURIC ACID DIAMIDE AND THEIR USE AS MEDICAMENTS 4SC AG (DE) 2004-03-10 EP disclosed
US-20030119876-A1 Compounds for the treatment of protozoal diseases 4SC AG (DE) 2003-06-26 US disclosed
US-20020165236-A1 Compounds for the treatment of protozoal diseases 4SC AG (DE) 2002-11-07 US disclosed
WO-2002070467-A1 DERIVATIVES OF DIPHENYLUREA, DIPHENYLOXALIC ACID DIAMIDE AND DIPHENYLSULFURIC ACID DIAMIDE AND THEIR USE AS MEDICAMENTS 4SC AG (DE) 2002-09-12 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 (2 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-20020165236-A1 Compounds for the treatment of protozoal diseases PKD2, PPOX, PKD1 CA2 2245/4885CA1 4304/4885CA9 3193/4885
US-20030119876-A1 Compounds for the treatment of protozoal diseases CLIC1, PKD2, PKD1 CA2 12/4885CA1 680/4885CA9 405/4885

“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.