SCHEMBL3060253

SCHEMBL3060253

C[C@@H]1CN(c2c(CO)cc(C=NN3CCOCC3)c(F)c2F)C[C@H](C)O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.40
NPC1 O15118 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MTOR P42345 4/20 0.36
PIK3CA P42336 4/20 0.36
PIK3R1 P27986 3/20 0.36
POLB P06746 2/20 0.36
GAA P10253 1/20 0.36
APEX1 P27695 1/20 0.36
MPI P34949 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
PIK3CD O00329 1/20 0.33
KCNH2 Q12809 1/20 0.33
RICTOR Q6R327 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
SCHEMBL3060249 1.00 RAB9A (0.40) RAB9ANPC1ALDH1A1MAPTKDM4E
SCHEMBL3070288 0.92 NPC1 (0.33) RAB9ANPC1ALDH1A1MAPTKDM4E
SCHEMBL3070291 0.92 NPC1 (0.33) RAB9ANPC1ALDH1A1MAPTKDM4E
SCHEMBL3066888 0.83 RAB9A (0.36) RAB9ANPC1ALDH1A1MAPTKDM4E
SCHEMBL3066884 0.83 RAB9A (0.36) RAB9ANPC1ALDH1A1MAPTKDM4E
SCHEMBL3066491 0.79 KDM4E (0.36) NPC1ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL3062622 0.78 KDM4E (0.35) ALDH1A1MAPTKDM4ESMN1; SMN2LMNA
SCHEMBL3062619 0.78 KDM4E (0.35) ALDH1A1MAPTKDM4ESMN1; SMN2LMNA
SCHEMBL3052839 0.74 HTT (0.33) RAB9ANPC1MAPTKDM4EPOLB
SCHEMBL3052833 0.74 HTT (0.33) RAB9ANPC1MAPTKDM4EPOLB

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 RAB9A 1064/4885NPC1 639/4885ALDH1A1 2604/4885

“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.