SCHEMBL4570748

SCHEMBL4570748

CNCCCC(=O)NCN1C(=O)CCC1=O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
HPGD P15428 3/20 0.49
HTT P42858 1/20 0.49
ALDH1A1 P00352 5/20 0.42
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.34
ALPL P05186 1/20 0.34
POLB P06746 1/20 0.34
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 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
SCHEMBL4570753 0.83 HPGD (0.48) SMN1; SMN2HPGDHTTALDH1A1MAPT
SCHEMBL9999885 0.81 PTGS1 (0.37) SMN1; SMN2HPGDHTTALDH1A1MAPT
SCHEMBL4570745 0.79 HTT (0.69) SMN1; SMN2HPGDHTTALDH1A1MAPT
SCHEMBL22422905 0.79 SMN1; SMN2 (0.61) SMN1; SMN2HPGDHTTALDH1A1MAPT
SCHEMBL7749425 0.72 ALDH1A1 (0.38) SMN1; SMN2HPGDHTTALDH1A1MAPT
SCHEMBL13967044 0.71 NPSR1 (0.50) SMN1; SMN2HPGDHTTALDH1A1TSHR
SCHEMBL12290101 0.71 CYP3A4 (0.49) SMN1; SMN2HPGDHTTALDH1A1MAPT
SCHEMBL25734966 0.71 HTT (0.73) SMN1; SMN2HPGDHTTALDH1A1MAPT
SCHEMBL12109385 0.71 SMN1; SMN2 (0.63) SMN1; SMN2HPGDHTTALDH1A1MAPT
SCHEMBL27317502 0.70 TSHR (0.47) ALDH1A1MAPTTSHRMEN1KMT2A

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-20120164635-A1 LARGE STOKE SHIFT NIR DYES VANDERBILT UNIVERSITY 2012-06-28 US disclosed
US-8168804-B2 Large stoke shift NIR dyes VANDERBILT UNIVERSITY (US) 2012-05-01 US disclosed
US-20090029405-A1 LARGE STOKE SHIFT NIR DYES VANDERBILT UNIVERSITY 2009-01-29 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 (2 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-20120164635-A1 LARGE STOKE SHIFT NIR DYES SLC7A5, SLC43A1, SPIN3 SMN1; SMN2 1050/4885HPGD 3230/4885HTT 3647/4885
US-20090029405-A1 LARGE STOKE SHIFT NIR DYES SLC7A5, SLC43A1, SPIN3 SMN1; SMN2 1050/4885HPGD 3230/4885HTT 3647/4885

“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.