SCHEMBL3056872

SCHEMBL3056872

C[C@@H]1CN(c2c(C=O)cc(I)c(F)c2F)C[C@H](C)O1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
HTT P42858 1/20 0.39
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 3/20 0.32
TSHR P16473 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
NPC1 O15118 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
PRKDC P78527 1/20 0.30
SCN9A Q15858 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL3060327 0.83 KDM4E (0.39) KDM4EHTTGAAMAPTKMT2A
SCHEMBL4506693 0.83 KDM4E (0.39) KDM4EHTTGAAMAPTKMT2A
SCHEMBL5015622 0.83 KDM4E (0.39) KDM4EHTTGAAMAPTKMT2A
SCHEMBL3075477 0.81 KDM4E (0.39) KDM4EHTTGAAMAPTKMT2A
SCHEMBL2305202 0.80 TSHR (0.38) KDM4EHTTMAPTKMT2AALDH1A1
SCHEMBL3073265 0.80 KDM4E (0.38) KDM4EHTTGAAMAPTKMT2A
SCHEMBL3052855 0.80 KDM4E (0.36) KDM4EHTTGAAMAPTKMT2A
SCHEMBL4518752 0.78 KDM4E (0.35) KDM4EHTTALDH1A1
SCHEMBL3070183 0.78 KDM4E (0.45) KDM4EHTTGAAMAPTKMT2A
SCHEMBL4706251 0.77 KDM4E (0.43) KDM4EHTTGAAMAPTKMT2A

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-20100261719-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2010-10-14 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-20100261719-A1 CHEMICAL COMPOUNDS NCOA3, NR4A3, NR0B2 KDM4E 4486/4885HTT 2271/4885GAA 4663/4885

“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.