SCHEMBL2938115

SCHEMBL2938115

CCN(CC)C(CCCCCNc1cc(OC)cc2c(C)ccnc12)OS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 2/20 0.55
CASP6 P55212 2/20 0.55
RAD52 P43351 1/20 0.55
CASP7 P55210 1/20 0.55
HSP90AA1 P07900 10/20 0.43
HSP90AB1 P08238 10/20 0.43
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HTR1A P08908 3/20 0.37
ADRA1D P25100 3/20 0.37
ADRA1A P35348 3/20 0.37
ADRA1B P35368 3/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
MAPT P10636 2/20 0.37
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
TP53 P04637 2/20 0.37

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
Sitamaquine SCHEMBL2933465 0.80 NSD2 (0.54) NSD2CASP6RAD52CASP7HSP90AA1
Sitamaquine SCHEMBL29811198 0.75 NSD2 (0.65) NSD2CASP6RAD52CASP7HSP90AA1
Sitamaquine SCHEMBL1070741 0.75 NSD2 (0.65) NSD2CASP6RAD52CASP7HSP90AA1
SCHEMBL14424700 0.75 NSD2 (0.65) NSD2CASP6RAD52CASP7HSP90AA1
Sitamaquine SCHEMBL1230457 0.74 NSD2 (0.64) NSD2CASP6RAD52CASP7HSP90AA1
Sitamaquine SCHEMBL1650398 0.74 NSD2 (0.64) NSD2CASP6RAD52CASP7HSP90AA1
Sitamaquine SCHEMBL1267745 0.74 NSD2 (0.64) NSD2CASP6RAD52CASP7HSP90AA1
SCHEMBL14424699 0.74 NSD2 (0.66) NSD2CASP6RAD52CASP7HSP90AA1
SCHEMBL10731810 0.73 NSD2 (0.71) NSD2CASP6RAD52CASP7HSP90AA1
SCHEMBL10731681 0.73 NSD2 (0.71) NSD2CASP6RAD52CASP7HSP90AA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081906-B1 SITAMAQUINE TOSYLATE FOR THE TREATMENT OF LEISHMANIASIS GLAXO GROUP LTD (GB) 2010-09-22 EP disclosed
US-20100076017-A1 SITAMAQUINE TOSYLATE FOR THE TREATMENT OF LEISHMANIASIS GLAXO GROUP LIMITED (GB) 2010-03-25 US 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-20100076017-A1 SITAMAQUINE TOSYLATE FOR THE TREATMENT OF LEISHMANIASIS SGMS1, GPAA1, SGMS2 NSD2 935/4885CASP6 132/4885RAD52 810/4885

“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.