SCHEMBL4570753

SCHEMBL4570753

CCCCC(=O)NCN1C(=O)CCC1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HTT P42858 2/20 0.48
ALDH1A1 P00352 2/20 0.43
FAAH O00519 6/20 0.43
CASP2 P42575 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
MAPT P10636 1/20 0.38
EPHX2 P34913 1/20 0.37
MGLL Q99685 1/20 0.37

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
SCHEMBL4570748 0.83 SMN1; SMN2 (0.49) HPGDSMN1; SMN2HTTALDH1A1MAPT
SCHEMBL9999887 0.79 PTGS1 (0.46) HPGDHTTALDH1A1FAAHHDAC3
SCHEMBL24474075 0.78 SMN1; SMN2 (0.64) HPGDSMN1; SMN2HTTALDH1A1FAAH
SCHEMBL28488205 0.78 SMN1; SMN2 (0.64) HPGDSMN1; SMN2HTTALDH1A1FAAH
SCHEMBL19401301 0.77 HPGD (0.56) HPGDSMN1; SMN2HTTALDH1A1FAAH
SCHEMBL12109385 0.77 SMN1; SMN2 (0.63) HPGDSMN1; SMN2HTTALDH1A1FAAH
SCHEMBL18825259 0.77 FAAH (0.40) HPGDSMN1; SMN2HTTALDH1A1FAAH
SCHEMBL27397700 0.74 CASP2 (0.57) HPGDSMN1; SMN2HTTALDH1A1FAAH
SCHEMBL23226018 0.74 CASP2 (0.57) HPGDSMN1; SMN2HTTALDH1A1FAAH
SCHEMBL7749425 0.74 ALDH1A1 (0.38) HPGDSMN1; SMN2HTTALDH1A1MAPT

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 HPGD 3230/4885SMN1; SMN2 1050/4885HTT 3647/4885
US-20090029405-A1 LARGE STOKE SHIFT NIR DYES SLC7A5, SLC43A1, SPIN3 HPGD 3230/4885SMN1; SMN2 1050/4885HTT 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.