SCHEMBL21774708

SCHEMBL21774708

CCC(O)[C@@H](N)CCCNC(=N)N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALOX15 P16050 1/20 0.34
NOS2 P35228 2/20 0.33
DPP7 Q9UHL4 2/20 0.32
CYP2D6 P10635 2/20 0.31
SPHK1 Q9NYA1 1/20 0.31
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
THPO P40225 1/20 0.31
MTOR P42345 1/20 0.31
BLM P54132 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
CETP P11597 1/20 0.31

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
SCHEMBL20388820 1.00 CYP1A2 (0.37) CYP1A2MEN1KMT2ASMN1; SMN2ALOX15
SCHEMBL20388834 0.89 ANPEP (0.32) CYP1A2MEN1KMT2ASMN1; SMN2
SCHEMBL22400069 0.81 MEN1 (0.43) CYP1A2MEN1KMT2ASMN1; SMN2ALOX15
SCHEMBL21011320 0.81 MEN1 (0.43) CYP1A2MEN1KMT2ASMN1; SMN2ALOX15
SCHEMBL17985760 0.81 MEN1 (0.41) CYP1A2MEN1KMT2ASMN1; SMN2ALOX15
SCHEMBL4883177 0.81 MEN1 (0.41) CYP1A2MEN1KMT2ASMN1; SMN2ALOX15
SCHEMBL12664131 0.79 MEN1 (0.40) CYP1A2MEN1KMT2ASMN1; SMN2ALOX15
SCHEMBL7158448 0.79 MEN1 (0.40) CYP1A2MEN1KMT2ASMN1; SMN2ALOX15
SCHEMBL171399 0.79 MEN1 (0.40) CYP1A2MEN1KMT2ASMN1; SMN2ALOX15
SCHEMBL18822222 0.79 MEN1 (0.40) CYP1A2MEN1KMT2ASMN1; SMN2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200061192-A1 DERIVATIZED POLYGLUCOSAMINES FOR DELIVERY OF SMALL MOLECULES, PEPTIDES, AND PROTEINS SYNEDGEN INC (US) 2020-02-27 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 (1 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-20200061192-A1 DERIVATIZED POLYGLUCOSAMINES FOR DELIVERY OF SMALL MOLECULES, PEPTIDES, AND PROTEINS MUC1, DDOST, EPCAM CYP1A2 4879/4885MEN1 1199/4885KMT2A 3524/4885

“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.