SCHEMBL9976345

SCHEMBL9976345

CCC(=O)NCCCNC(=O)CC(C)C

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.64
MEN1 O00255 1/20 0.64
TP53 P04637 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HPGD P15428 2/20 0.51
ALDH1A1 P00352 1/20 0.51
RECQL P46063 1/20 0.42
CASP2 P42575 1/20 0.39
EPHX1 P07099 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
PSMB5 P28074 2/20 0.39

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
SCHEMBL23665086 0.91 KMT2A (0.56) KMT2AMEN1TP53SMN1; SMN2HPGD
SCHEMBL20340484 0.91 SMN1; SMN2 (0.66) KMT2AMEN1TP53SMN1; SMN2HPGD
SCHEMBL18199495 0.87 SMN1; SMN2 (0.66) KMT2AMEN1TP53SMN1; SMN2HPGD
SCHEMBL24811022 0.86 KMT2A (0.52) KMT2AMEN1TP53SMN1; SMN2HPGD
SCHEMBL7325345 0.85 SMN1; SMN2 (0.59) KMT2AMEN1TP53SMN1; SMN2HPGD
SCHEMBL10101148 0.84 MEN1 (0.89) KMT2AMEN1SMN1; SMN2ALDH1A1RECQL
SCHEMBL25574170 0.84 TP53 (0.54) KMT2AMEN1TP53SMN1; SMN2HPGD
SCHEMBL20341082 0.84 CASP2 (0.60) KMT2AMEN1TP53SMN1; SMN2HPGD
SCHEMBL7035049 0.83 CASP2 (0.59) KMT2AMEN1TP53SMN1; SMN2HPGD
SCHEMBL19757992 0.83 SMN1; SMN2 (0.58) KMT2AMEN1TP53SMN1; SMN2HPGD

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-20140357569-A1 CYCLOSPORIN CONJUGATES UCL BUSINESS PLC (GB) 2014-12-04 US disclosed
US-20120157385-A1 CYCLOSPORIN CONJUGATES UCL BUSINESS PLC (GB) 2012-06-21 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-20120157385-A1 CYCLOSPORIN CONJUGATES CYP11B1, SHMT2, MRM1 KMT2A 3065/4885MEN1 1425/4885TP53 873/4885
US-20140357569-A1 CYCLOSPORIN CONJUGATES CYP11B1, SHMT2, MRM1 KMT2A 3078/4885MEN1 1363/4885TP53 763/4885

“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.