SCHEMBL6285904

SCHEMBL6285904

N=C(N)c1cccc(NC(=O)C(=O)Nc2cccc(S(=O)(=O)NCc3ccccc3)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.56
F2 P00734 11/20 0.56
TMPRSS6 Q8IU80 7/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HTT P42858 1/20 0.56
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
MITF O75030 1/20 0.52
MAPK1 P28482 1/20 0.52
KMT2A Q03164 1/20 0.52
LMNA P02545 2/20 0.51
PKM P14618 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
ALDH1A1 P00352 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
F10 P00742 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
SCHEMBL6286589 0.92 F2 (0.53) NAMPTF2TMPRSS6HDAC2HDAC8
SCHEMBL6280117 0.86 MEN1 (0.60) NAMPTF2TMPRSS6KMT2AMAPT
SCHEMBL4173576 0.85 NAMPT (0.61) NAMPTHDAC2HDAC8HDAC6HTT
SCHEMBL6276427 0.83 GPR55 (0.56) F2TMPRSS6RAB9AKMT2APKM
SCHEMBL5032437 0.78 HDAC2 (0.73) HDAC2HDAC8HDAC6HTTRAB9A
SCHEMBL6276930 0.78 CA2 (0.53) KMT2AMAPTSMN1; SMN2
SCHEMBL14947453 0.76 HDAC2 (0.73) HDAC2HDAC8HDAC6HTTRAB9A
SCHEMBL15555895 0.75 TMPRSS6 (0.55) F2TMPRSS6HDAC2HDAC8HDAC6
SCHEMBL7420940 0.75 F10 (0.56) F2TMPRSS6HDAC2HDAC8HDAC6
SCHEMBL8170686 0.75 KEAP1 (0.65) F2TMPRSS6LMNAALDH1A1SMN1; SMN2

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 NAMPT 1150/4885F2 2898/4885TMPRSS6 502/4885
US-20030119876-A1 Compounds for the treatment of protozoal diseases CLIC1, PKD2, PKD1 NAMPT 4286/4885F2 3408/4885TMPRSS6 2436/4885

“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.