SCHEMBL2214700

SCHEMBL2214700

C[C@@H]1CN(c2ncc(-c3ccc(Cl)cn3)cc2C=O)C[C@H](C)O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
CNR2 P34972 1/20 0.39
KMT2A Q03164 6/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAK O14976 2/20 0.37
GAA P10253 2/20 0.36
MAPT P10636 1/20 0.36
MAP3K12 Q12852 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 3/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ATM Q13315 1/20 0.34
GRM2 Q14416 1/20 0.34
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34
GRIA2 P42262 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
SCHEMBL2217944 0.83 SCN9A (0.43) RAB9ACNR2KMT2AGAKGAA
SCHEMBL2214778 0.81 ALDH1A1 (0.50) RAB9ASMN1; SMN2NPC1KMT2ATDP1
SCHEMBL2215416 0.80 GAK (0.52) RAB9ASMN1; SMN2KMT2ATDP1GAK
SCHEMBL2214626 0.80 CYP2C9 (0.36) RAB9AKMT2AGAKGAAMAPT
SCHEMBL2214872 0.80 TDP1 (0.40) RAB9AKMT2ATDP1GAKGAA
SCHEMBL3809787 0.80 CYP2C9 (0.36) RAB9AKMT2AGAKGAAMAPT
SCHEMBL2216042 0.79 GAK (0.41) RAB9ANPC1KMT2AGAKGAA
SCHEMBL2213598 0.79 PIK3CA (0.35) RAB9AKMT2AGAKGAAMAPT
SCHEMBL2216256 0.79 GAA (0.34) RAB9ASMN1; SMN2NPC1KMT2AGAK
SCHEMBL2217996 0.78 GAK (0.42) RAB9ASMN1; SMN2KMT2AGAKGAA

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-20110178064-A1 SPIRO CONDENSED BARBITURIC ACID DERIVATIVES FOR USE AS ANTIBACTERIAL ASTRAZENECA R&D (SE) 2011-07-21 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-20110178064-A1 SPIRO CONDENSED BARBITURIC ACID DERIVATIVES FOR USE AS ANTIBACTERIAL TBCA, TUBA1A, BROX RAB9A 1749/4885SMN1; SMN2 2445/4885NPC1 531/4885

“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.