SCHEMBL18043142

SCHEMBL18043142

CC(C)(C=CC(N)=O)N1CCOCC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
SMN1; SMN2 Q16637 6/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 2/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HTT P42858 2/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL18043141 1.00 KDM4E (0.36) KDM4ESMN1; SMN2USP2ALDH1A1MAPK1
SCHEMBL18043296 0.83 PARP1 (0.35)
SCHEMBL18043297 0.83 PARP1 (0.35)
SCHEMBL18043334 0.81 PARP1 (0.36) SMN1; SMN2ALDH1A1MEN1KMT2ANPC1
SCHEMBL18043335 0.81 PARP1 (0.36) SMN1; SMN2ALDH1A1MEN1KMT2ANPC1
SCHEMBL18043285 0.80 CYP1A2 (0.33) KDM4EALDH1A1HPGD
SCHEMBL18043288 0.80 CYP1A2 (0.33) KDM4EALDH1A1HPGD
SCHEMBL18043395 0.79 MEN1 (0.39) KDM4ESMN1; SMN2USP2ALDH1A1MAPK1
SCHEMBL18043398 0.79 MEN1 (0.39) KDM4ESMN1; SMN2USP2ALDH1A1MAPK1
SCHEMBL18043123 0.79 HPGD (0.34) KDM4EHPGD

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-20160257686-A1 Purinone Derivatives as Tyrosine Kinase Inhibitors PRINCIPIA BIOPHARMA INC. (US) 2016-09-08 US claimed

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-20160257686-A1 Purinone Derivatives as Tyrosine Kinase Inhibitors BMX, BLK, ITK KDM4E 2028/4885SMN1; SMN2 3442/4885USP2 4546/4885

“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.