SCHEMBL6281156

SCHEMBL6281156

CCOC(=N)c1cccc(NC(=O)Nc2ccc(S(=O)(=O)NCc3ccccc3)cc2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.65
CYP2D6 P10635 1/20 0.65
CYP2C9 P11712 1/20 0.65
CYP2C19 P33261 1/20 0.65
MAPT P10636 5/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
NAMPT P43490 7/20 0.52
LMNA P02545 4/20 0.52
ALOX15 P16050 2/20 0.52
MAPK1 P28482 2/20 0.52
KCNA5 P22460 1/20 0.49
GPR17 Q13304 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
TP53 P04637 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL6280117 0.85 MEN1 (0.60) TSHRCYP2D6CYP2C9CYP2C19MAPT
SCHEMBL6282613 0.83 MEN1 (0.52) TSHRMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL12010884 0.81 NAMPT (0.72) TSHRCYP2D6CYP2C9CYP2C19MAPT
SCHEMBL6286589 0.79 F2 (0.53) TSHRCYP2D6CYP2C9CYP2C19MAPT
SCHEMBL2762052 0.79 TSHR (0.53) TSHRCYP2D6CYP2C9CYP2C19MAPT
SCHEMBL12010893 0.78 LMNA (0.74) TSHRCYP2D6CYP2C9CYP2C19MAPT
SCHEMBL2762185 0.78 SMN1; SMN2 (0.49) TSHRCYP2D6CYP2C9CYP2C19MAPT
SCHEMBL23059729 0.78 NAMPT (0.63) TSHRCYP2D6CYP2C9CYP2C19MAPT
SCHEMBL6276930 0.78 CA2 (0.53) TSHRMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL2761936 0.77 CA2 (0.51) TSHRMAPTSMN1; SMN2MEN1KMT2A

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 TSHR 2341/4885CYP2D6 820/4885CYP2C9 1221/4885
US-20030119876-A1 Compounds for the treatment of protozoal diseases CLIC1, PKD2, PKD1 TSHR 3529/4885CYP2D6 2377/4885CYP2C9 2775/4885

“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.