SCHEMBL4140336

SCHEMBL4140336

COCC(CN(CCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)NC(C)C)OC(=O)Nc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
NPY5R Q15761 4/20 0.40
F13A1 P00488 4/20 0.39
TGM1 P22735 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
USP2 O75604 1/20 0.38
TGM2 P21980 1/20 0.36
PKM P14618 1/20 0.36
ALDH1A1 P00352 2/20 0.36
BDKRB1 P46663 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL4140333 1.00 HTT (0.40) HTTNPY5RF13A1TGM1MEN1
SCHEMBL4135320 0.89 KMT2A (0.39) HTTMEN1KMT2AUSP2BDKRB1
SCHEMBL4135313 0.89 KMT2A (0.39) HTTMEN1KMT2AUSP2BDKRB1
SCHEMBL4129723 0.84 TRPV4 (0.39) MEN1KMT2APKMBDKRB1
SCHEMBL4129734 0.84 TRPV4 (0.39) MEN1KMT2APKMBDKRB1
SCHEMBL4135071 0.84 TRPV4 (0.39) MEN1KMT2APKMBDKRB1
SCHEMBL4145496 0.83 NPY5R (0.48) HTTNPY5RF13A1TGM1MEN1
SCHEMBL4148627 0.82 BMP1 (0.37) MEN1KMT2AUSP2PKMALDH1A1
SCHEMBL4768084 0.82 MEN1 (0.37) HTTMEN1KMT2AUSP2ALDH1A1
SCHEMBL4148621 0.82 BMP1 (0.37) MEN1KMT2AUSP2PKMALDH1A1

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
US-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 US claimed
US-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 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-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof TRPV4, TRPC4, TRPV1 HTT 1977/4885NPY5R 298/4885F13A1 4183/4885

“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.