SCHEMBL5468428

SCHEMBL5468428

O=S(=O)(Nc1ccc2ccccc2n1)N1CCCN(c2ncccn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 2/20 0.45
HTT P42858 2/20 0.45
KDM4E B2RXH2 4/20 0.40
PKM P14618 2/20 0.40
USP2 O75604 2/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 2/20 0.38
TSHR P16473 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CNR2 P34972 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL5474755 0.95 NPC1 (0.56) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL5471742 0.84 KDM4E (0.52) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL5471257 0.83 HSD11B1 (0.48) SMN1; SMN2LMNAALDH1A1MAPK1HTT
SCHEMBL5471685 0.83 LMNA (0.58) NPC1RAB9ALMNAALDH1A1MAPK1
SCHEMBL5474154 0.83 LMNA (0.58) NPC1RAB9ALMNAALDH1A1MAPK1
SCHEMBL5464281 0.81 LMNA (0.47) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL14581842 0.79 KDM4E (0.48) LMNAALDH1A1MAPK1HTTKDM4E
SCHEMBL5471161 0.79 KDM4E (0.47) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL5471314 0.78 LMNA (0.44) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL14581954 0.78 HRH3 (0.44) NPC1RAB9ALMNAALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070027118-A1 Novel compounds of amino sulfonyl derivatives AGOURON PHARMACEUTICALS, INC 2007-02-01 US disclosed
US-20070027118-A1 Novel compounds of amino sulfonyl derivatives AGOURON PHARMACEUTICALS, INC 2007-02-01 US disclosed
US-20070027118-A1 Novel compounds of amino sulfonyl derivatives AGOURON PHARMACEUTICALS, INC 2007-02-01 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-20070027118-A1 Novel compounds of amino sulfonyl derivatives HSD11B1, HSD11B2, HSD17B11 NPC1 824/4885RAB9A 2774/4885SMN1; SMN2 2782/4885

“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.