SCHEMBL3052833

SCHEMBL3052833

C[C@@H]1CN(c2c(C=O)cc(/C=N\N3CCCC3)c(F)c2F)C[C@H](C)O1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 3/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 2/20 0.32
POLB P06746 2/20 0.32
PDE4D Q08499 1/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 1/20 0.31
CASP6 P55212 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
SCHEMBL3052839 1.00 HTT (0.33) HTTKDM4ENPC1KMT2AMEN1
SCHEMBL3066884 0.91 RAB9A (0.36) HTTKDM4ENPC1KMT2AMEN1
SCHEMBL3066888 0.91 RAB9A (0.36) HTTKDM4ENPC1KMT2AMEN1
SCHEMBL3070288 0.82 NPC1 (0.33) HTTKDM4ENPC1KMT2AMEN1
SCHEMBL3070291 0.82 NPC1 (0.33) HTTKDM4ENPC1KMT2AMEN1
SCHEMBL3060327 0.78 KDM4E (0.39) HTTKDM4ENPC1KMT2AGAA
SCHEMBL4506693 0.78 KDM4E (0.39) HTTKDM4ENPC1KMT2AGAA
SCHEMBL5015622 0.78 KDM4E (0.39) HTTKDM4ENPC1KMT2AGAA
SCHEMBL3065224 0.78 KDM4E (0.36) HTTKDM4EKMT2AMEN1MAPT
SCHEMBL3065228 0.78 KDM4E (0.36) HTTKDM4EKMT2AMEN1MAPT

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 HTT 2271/4885KDM4E 4486/4885NPC1 639/4885

“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.