SCHEMBL6280104

SCHEMBL6280104

N#Cc1cccc(NC(=O)Nc2ccc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.62
MEN1 O00255 6/20 0.62
MAPT P10636 3/20 0.62
ALDH1A1 P00352 1/20 0.62
CA12 O43570 4/20 0.57
CA1 P00915 4/20 0.57
CA2 P00918 4/20 0.57
CA9 Q16790 4/20 0.57
CA5A P35218 1/20 0.57
CA5B Q9Y2D0 1/20 0.57
DDX3X O00571 1/20 0.52
POLB P06746 1/20 0.52
HTT P42858 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
KCNJ6 P48051 1/20 0.51
KCNJ5 P48544 1/20 0.51
KCNJ3 P48549 1/20 0.51
P4HB P07237 1/20 0.51
GAA P10253 2/20 0.50
KDR P35968 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
SCHEMBL27877498 0.84 MEN1 (0.75) KMT2AMEN1MAPTALDH1A1CA12
SCHEMBL13196624 0.80 CA2 (0.74) KMT2AMEN1MAPTALDH1A1CA12
SCHEMBL6284564 0.80 MAPT (0.72) KMT2AMEN1MAPTALDH1A1CA12
SCHEMBL31125132 0.80 MEN1 (0.73) KMT2AMEN1MAPTALDH1A1CA12
SCHEMBL6278525 0.78 CA1 (0.59) KMT2AMEN1MAPTALDH1A1CA12
SCHEMBL2762003 0.78 MAPT (0.68) KMT2AMEN1MAPTALDH1A1CA12
SCHEMBL7248947 0.78 MAPT (1.00) KMT2AMEN1MAPTALDH1A1CA12
SCHEMBL30606801 0.78 MAPT (0.87) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL29580531 0.78 MAPT (0.87) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL28948065 0.78 CA12 (0.64) KMT2AMEN1MAPTCA12CA1

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 KMT2A 2215/4885MEN1 2642/4885MAPT 2767/4885
US-20030119876-A1 Compounds for the treatment of protozoal diseases CLIC1, PKD2, PKD1 KMT2A 3794/4885MEN1 1654/4885MAPT 2803/4885

“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.