SCHEMBL4570745

SCHEMBL4570745

CNCCCCCCCCCCC(=O)NCCCCN1C(=O)CCC1=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.69
SMN1; SMN2 Q16637 3/20 0.69
HPGD P15428 3/20 0.69
ALDH1A1 P00352 4/20 0.56
TSHR P16473 1/20 0.47
ALPL P05186 1/20 0.47
POLB P06746 1/20 0.47
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 2/20 0.46
PKM P14618 1/20 0.45
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41

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
SCHEMBL22422905 0.94 SMN1; SMN2 (0.61) HTTSMN1; SMN2HPGDALDH1A1TSHR
SCHEMBL21120300 0.86 HTT (0.65) HTTSMN1; SMN2HPGDALDH1A1TSHR
SCHEMBL25734966 0.85 HTT (0.73) HTTSMN1; SMN2HPGDALDH1A1TSHR
SCHEMBL23346430 0.85 HTT (0.68) HTTSMN1; SMN2HPGDALDH1A1TSHR
SCHEMBL20034931 0.85 HTT (0.64) HTTSMN1; SMN2HPGDALDH1A1TSHR
SCHEMBL9999886 0.83 PTGS1 (0.54) HTTSMN1; SMN2HPGDALDH1A1KDM4E
SCHEMBL26005683 0.82 SMN1; SMN2 (0.68) HTTSMN1; SMN2HPGDALDH1A1TSHR
SCHEMBL25973101 0.82 SMN1; SMN2 (0.48) HTTSMN1; SMN2HPGDALDH1A1KDM4E
SCHEMBL10044365 0.82 SMN1; SMN2 (0.85) HTTSMN1; SMN2HPGDALDH1A1TSHR
SCHEMBL19756303 0.82 SMN1; SMN2 (0.62) HTTSMN1; SMN2HPGDALDH1A1TSHR

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

“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.