SCHEMBL5541901

SCHEMBL5541901

N=C(N)c1ccc(S(=O)(=O)NCCCCCCCCCNS(=O)(=O)c2ccc(C(=N)N)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
PKM P14618 3/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
TMPRSS6 Q8IU80 6/20 0.56
F2 P00734 5/20 0.56
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
PRSS1 P07477 6/20 0.53
PRSS2 P07478 2/20 0.53
PRSS3 P35030 2/20 0.53
ST14 Q9Y5Y6 2/20 0.53
TBXA2R P21731 1/20 0.50
CYP2D6 P10635 1/20 0.49

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
SCHEMBL14599610 1.00 ALDH1A1 (0.57) ALDH1A1PKMMEN1KMT2ATMPRSS6
SCHEMBL14599613 1.00 ALDH1A1 (0.57) ALDH1A1PKMMEN1KMT2ATMPRSS6
SCHEMBL14599528 1.00 ALDH1A1 (0.57) ALDH1A1PKMMEN1KMT2ATMPRSS6
SCHEMBL12348116 0.95 TMPRSS6 (0.57) ALDH1A1PKMMEN1KMT2ATMPRSS6
SCHEMBL12348122 0.91 TMPRSS6 (0.58) ALDH1A1TMPRSS6F2PRSS1PRSS2
SCHEMBL9029932 0.89 TMPRSS6 (0.53) ALDH1A1PKMTMPRSS6F2LMNA
SCHEMBL14599604 0.84 ALDH1A1 (0.59) ALDH1A1TMPRSS6F2KDM4ELMNA
SCHEMBL8409042 0.83 LMNA (0.60) ALDH1A1PKMTMPRSS6F2LMNA
SCHEMBL14599612 0.83 ALDH1A1 (0.58) ALDH1A1TMPRSS6F2KDM4ELMNA
Hydrochloric Acid SCHEMBL27601325 0.80 TMPRSS6 (0.56) ALDH1A1TMPRSS6F2KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7262223-B2 Amidine derivatives for treating amyloidosis NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-08-28 US claimed
US-20050182118-A1 Amidine derivatives for treating amyloidosis NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2005-08-18 US claimed
US-7262223-B2 Amidine derivatives for treating amyloidosis NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-08-28 US disclosed
US-7262223-B2 Amidine derivatives for treating amyloidosis NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-08-28 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-20050182118-A1 Amidine derivatives for treating amyloidosis APP, IAPP, GRN ALDH1A1 2283/4885PKM 2200/4885MEN1 824/4885

“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.