SCHEMBL5437654

SCHEMBL5437654

CNCCCN(C)S(=O)(=O)c1ccccc1C#N

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.57
ALDH1A1 P00352 1/20 0.57
POLB P06746 1/20 0.42
NR1H3 Q13133 1/20 0.42
RORC P51449 1/20 0.40
BDKRB1 P46663 1/20 0.39
HSD11B1 P28845 2/20 0.38
LMNA P02545 1/20 0.37
SLC22A12 Q96S37 2/20 0.36
PKM P14618 1/20 0.35
KDM2B Q8NHM5 1/20 0.35
SLC40A1 Q9NP59 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KAT6A Q92794 1/20 0.34
ABCC9 O60706 1/20 0.33
ABCC8 Q09428 1/20 0.33
KCNJ11 Q14654 1/20 0.33
KCNJ8 Q15842 1/20 0.33

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
SCHEMBL3957305 0.83 HTT (0.60) HTTALDH1A1POLBNR1H3RORC
SCHEMBL4029806 0.83 ALDH1A1 (0.64) HTTALDH1A1POLBNR1H3RORC
SCHEMBL6186200 0.81 HTT (0.66) HTTALDH1A1POLBNR1H3RORC
SCHEMBL3914861 0.77 TRPV4 (0.44) HTTALDH1A1POLBNR1H3RORC
SCHEMBL5006633 0.74 ALDH1A1 (0.64) HTTALDH1A1POLBNR1H3RORC
SCHEMBL1014634 0.74 ALDH1A1 (1.00) HTTALDH1A1POLBNR1H3RORC
SCHEMBL5124833 0.72 BDKRB1 (0.56) HTTALDH1A1POLBNR1H3RORC
SCHEMBL17303554 0.71 PRMT6 (0.44) ALDH1A1POLBHSD11B1LMNAHSD17B10
SCHEMBL4135963 0.71 LMNA (0.48) HTTALDH1A1POLBNR1H3RORC
SCHEMBL5002905 0.70 ALDH1A1 (0.72) HTTALDH1A1POLBNR1H3RORC

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-20070259965-A1 Acyclic 1,3-Diamine And Uses Therefor SMITHKLINE BEECHAM CORPORATION 2007-11-08 US disclosed
US-20070259965-A1 Acyclic 1,3-Diamine And Uses Therefor SMITHKLINE BEECHAM CORPORATION 2007-11-08 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-20070259965-A1 Acyclic 1,3-Diamine And Uses Therefor TRPV4, TRPC4, TRPV1 HTT 1235/4885ALDH1A1 949/4885POLB 4849/4885

“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.