SCHEMBL3070291

SCHEMBL3070291

C[C@@H]1CN(c2c(CO)cc(C=NN3CCCC3)c(F)c2F)C[C@H](C)O1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 2/20 0.33
POLB P06746 3/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 2/20 0.32
HTT P42858 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CASP6 P55212 1/20 0.32
PDE4D Q08499 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL3070288 1.00 NPC1 (0.33) NPC1MEN1KMT2AGAAPOLB
SCHEMBL3060253 0.92 RAB9A (0.40) NPC1GAAPOLBRAB9AKDM4E
SCHEMBL3060249 0.92 RAB9A (0.40) NPC1GAAPOLBRAB9AKDM4E
SCHEMBL3052839 0.82 HTT (0.33) NPC1MEN1KMT2AGAAPOLB
SCHEMBL3052833 0.82 HTT (0.33) NPC1MEN1KMT2AGAAPOLB
SCHEMBL3066491 0.80 KDM4E (0.36) NPC1KMT2AGAAKDM4EHTT
SCHEMBL3062619 0.80 KDM4E (0.35) MEN1KMT2AKDM4EHTTALDH1A1
SCHEMBL3062622 0.80 KDM4E (0.35) MEN1KMT2AKDM4EHTTALDH1A1
SCHEMBL3066888 0.74 RAB9A (0.36) NPC1MEN1KMT2AGAAPOLB
SCHEMBL3066884 0.74 RAB9A (0.36) NPC1MEN1KMT2AGAAPOLB

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 NPC1 639/4885MEN1 1245/4885KMT2A 1391/4885

“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.