SCHEMBL750989

SCHEMBL750989

CNC(=O)CC(=O)Nc1nc2c(ncn2COCCO)c(=O)[nH]1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
TSHR P16473 2/20 0.63
PNP P00491 7/20 0.61
HBB P68871 2/20 0.61
BLM P54132 2/20 0.61
USP2 O75604 1/20 0.61
EDNRA P25101 1/20 0.61
HTR2A P28223 1/20 0.61
RECQL P46063 1/20 0.61
HSD17B10 Q99714 1/20 0.61
HPRT1 P00492 3/20 0.51
MAPK1 P28482 1/20 0.48
POLG P54098 1/20 0.45
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
NFKB1 P19838 1/20 0.43
VCP P55072 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL8444939 0.87 MEN1 (0.80) MEN1KMT2ATSHRPNPHBB
SCHEMBL12786366 0.86 PNP (0.70) MEN1KMT2ATSHRPNPHBB
SCHEMBL22875772 0.84 MEN1 (0.64) MEN1KMT2ATSHRPNPHBB
SCHEMBL16082172 0.82 PNP (0.72) MEN1KMT2ATSHRPNPHBB
SCHEMBL1177923 0.81 MEN1 (0.60) MEN1KMT2ATSHRPNPHBB
SCHEMBL12786344 0.79 PNP (0.77) MEN1KMT2ATSHRPNPHBB
SCHEMBL1177579 0.77 MEN1 (0.68) MEN1KMT2ATSHRPNPHBB
SCHEMBL9021892 0.77 TSHR (0.81) MEN1KMT2ATSHRPNPHBB
SCHEMBL10649363 0.77 PNP (0.64) MEN1KMT2ATSHRPNPHBB
SCHEMBL7688901 0.77 TK1 (0.70) TSHRPNPHBBBLMUSP2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130123175-A1 Compounds for Delivery of Therapeutic And Imaging Moieties to Nerve Cells HILL G CRAIG (US) 2013-05-16 US disclosed
US-8232251-B2 Compounds for delivery of therapeutic and imaging moieties to nerve cells MANZANITA PHARMACEUTICALS, INC. (US) 2012-07-31 US disclosed
US-8138155-B2 Compounds for intracellular delivery of therapeutic moieties to nerve cells MANZANITA PHARMACEUTICALS, INC. (US) 2012-03-20 US disclosed
US-20100266492-A1 COMPOUNDS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC MOIETIES TO NERVE CELLS MANZANITA PHARMACEUTICALS, INC. 2010-10-21 US disclosed
US-7718605-B2 Compounds for intracellular delivery of therapeutic moieties to nerve cells MANZANITA PHARMACEUTICALS, INC. (US) 2010-05-18 US disclosed
US-7678378-B2 Compounds for intracellular delivery of therapeutic moieties to nerve cells MANZANITA PHARMACEUTICALS, INC. (US) 2010-03-16 US disclosed
US-20090286732-A1 COMPOUNDS FOR DELIVERY OF THERAPEUTIC AND IMAGING MOIETIES TO NERVE CELLS MANZANITA PHARMACEUTICALS, INC. 2009-11-19 US disclosed
US-20090124547-A1 COMPOUNDS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC MOIETIES TO NERVE CELLS MANZANITA PHARMACEUTICALS, INC. 2009-05-14 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 (4 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-20090286732-A1 COMPOUNDS FOR DELIVERY OF THERAPEUTIC AND IMAGING MOIETIES TO NERVE CELLS CLTB, NMBR, L1CAM MEN1 1420/4885KMT2A 4488/4885TSHR 1857/4885
US-20130123175-A1 Compounds for Delivery of Therapeutic And Imaging Moieties to Nerve Cells CLTB, NMBR, L1CAM MEN1 1420/4885KMT2A 4488/4885TSHR 1857/4885
US-20090124547-A1 COMPOUNDS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC MOIETIES TO NERVE CELLS CLTB, NMBR, PMP22 MEN1 1755/4885KMT2A 4603/4885TSHR 413/4885
US-20100266492-A1 COMPOUNDS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC MOIETIES TO NERVE CELLS CLTB, NMBR, PMP22 MEN1 1755/4885KMT2A 4603/4885TSHR 413/4885

“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.