SCHEMBL2834844

SCHEMBL2834844

Cn1c(=O)c(CSC2=NOC(C)(C)C2)c(C(F)(F)F)c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 6/20 0.34
ALDH1A1 P00352 5/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
TSHR P16473 2/20 0.34
RAB9A P51151 1/20 0.34
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
PDE4D Q08499 2/20 0.32
HSD17B3 P37058 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
DPP4 P27487 1/20 0.30
PGR P06401 1/20 0.30
NR1H3 Q13133 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 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
SCHEMBL2833069 0.81 HPGD (0.36) HPGDLMNAKDM4EALDH1A1MEN1
SCHEMBL4284684 0.72
SCHEMBL4433372 0.71
SCHEMBL4286381 0.71
SCHEMBL4398070 0.69 CDC7 (0.39) KDM4EALDH1A1POLBNPSR1
SCHEMBL4428954 0.69
SCHEMBL3104128 0.68 ALDH1A1 (0.40) KDM4EALDH1A1MEN1KMT2ARAB9A
SCHEMBL3382253 0.67 ADAMTS5 (0.35)
SCHEMBL3380689 0.66 MPO (0.43)
SCHEMBL1412532 0.66

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-20100099561-A1 HETEROBICYCLIC ALKYLTHIO-BRIDGED ISOXAZOLINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-04-22 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-20100099561-A1 HETEROBICYCLIC ALKYLTHIO-BRIDGED ISOXAZOLINES UQCRB, CCNB3, CCNB1 HPGD 3056/4885LMNA 2155/4885KDM4E 3484/4885

“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.