SCHEMBL17849546

SCHEMBL17849546

CCC(NC(C)=O)C(=O)NC(CC)C(=O)NC(C)C=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
NFKB1 P19838 1/20 0.36
PTGS2 P35354 1/20 0.36
THPO P40225 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GNPAT O15228 2/20 0.35
SIRT6 Q8N6T7 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
CTSK P43235 1/20 0.31
MME P08473 1/20 0.31
ACE P12821 1/20 0.30

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
SCHEMBL24630336 0.77 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTTHRBALOX15
SCHEMBL14367909 0.77 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTTHRBALOX15
SCHEMBL5579743 0.77 DPP4 (0.39) ALDH1A1KDM4EMAPTTHRBALOX15
SCHEMBL6618896 0.76
SCHEMBL4044697 0.76
SCHEMBL2920884 0.76
SCHEMBL13857686 0.75 ALDH1A1 (0.32) ALDH1A1
SCHEMBL16706476 0.75 TASP1 (0.42) SMN1; SMN2
SCHEMBL15159359 0.72 KDM4E (0.43) ALDH1A1KDM4EMAPTTHRBALOX15
SCHEMBL13645737 0.71 BIRC2 (0.42) ALDH1A1KDM4EMAPTTHRBALOX15

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-9539298-B2 Lissencephaly therapeutic agent OSAKA CITY UNIVERSITY (JP) 2017-01-10 US disclosed
US-20160250276-A1 LISSENCEPHALY THERAPEUTIC AGENT OSAKA CITY UNIVERSITY (JP) 2016-09-01 US disclosed
US-9371359-B2 Lissencephaly therapeutic agent OSAKA CITY UNIVERSITY (JP) 2016-06-21 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 (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-20160250276-A1 LISSENCEPHALY THERAPEUTIC AGENT ASPH, DCX, P4HA1 ALDH1A1 1662/4885KDM4E 1802/4885MAPT 2309/4885

“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.