SCHEMBL20073431

SCHEMBL20073431

CC(C)C(=O)NCCOCCOCCOCCNC(=O)c1ccc(C(=O)NCCCCCCc2cn(C(C)C)nn2)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RAB9A P51151 3/20 0.39
NR2F2 P24468 1/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA2 P00918 3/20 0.38
NPC1 O15118 2/20 0.38
FOLH1 Q04609 2/20 0.38
HPGD P15428 1/20 0.37
APAF1 O14727 1/20 0.36
USP2 O75604 1/20 0.36
IDE P14735 1/20 0.36
UBE2N P61088 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL17037383 0.78 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2RAB9ANPC1FOLH1
SCHEMBL19663095 0.76 RECQL (0.41) MEN1KMT2ARAB9ANR2F2TSHR
SCHEMBL22653105 0.70 SMN1; SMN2 (0.73) ALDH1A1SMN1; SMN2KMT2ARAB9ACA2
SCHEMBL29325796 0.69 FOLH1 (0.40) SMN1; SMN2RAB9ACA2NPC1FOLH1
SCHEMBL19286590 0.69 LMNA (0.40) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL19655507 0.69 ANPEP (0.41)
SCHEMBL19755670 0.69 CYP2D6 (0.51) KMT2AL3MBTL1NPC1
SCHEMBL24812536 0.68 GLA (0.37) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL23335492 0.67 LMNA (0.38) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL25791676 0.67 CNR1 (0.39)

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-20180104354-A1 CHIMERIC ANTIGEN RECEPTOR T CELL SWITCHES AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE 2018-04-19 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-20180104354-A1 CHIMERIC ANTIGEN RECEPTOR T CELL SWITCHES AND USES THEREOF ICOS, HAVCR2, CD2 ALDH1A1 4278/4885SMN1; SMN2 2840/4885MEN1 4384/4885

“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.