SCHEMBL6399541

SCHEMBL6399541

O=C1C(O)=CCN1Cc1cccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
HDAC1 Q13547 2/20 0.44
DAO P14920 1/20 0.43
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
ACHE P22303 1/20 0.41
CMA1 P23946 1/20 0.41
TSHR P16473 2/20 0.41
P2RX7 Q99572 1/20 0.41
GRM2 Q14416 1/20 0.41
GRM3 Q14832 1/20 0.41
ACP3 P15309 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
FAAH O00519 1/20 0.40
HCRTR1 O43613 1/20 0.40

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
SCHEMBL28554314 0.74 DAO (0.49) CA12DAOMAPTHTTTDP1
SCHEMBL11865299 0.74 HDAC1 (0.59) CA12HDAC1DAOMAPTHTT
SCHEMBL1237529 0.73 MTNR1A (0.50) HDAC1DAOACHETSHRKMT2A
SCHEMBL7635264 0.72 PIM1 (0.64) CA12HDAC1DAOMAPTHTT
SCHEMBL1239220 0.72 L3MBTL1 (0.56) HDAC1ACHETSHRHCRTR1HCRTR2
SCHEMBL1337353 0.71 CA12 (0.57) CA12DAOMAPTHTTALDH1A1
SCHEMBL1239185 0.71 L3MBTL1 (0.59) MAPTHTTACHETSHRALDH1A1
SCHEMBL1240094 0.71 DAO (0.43) CA12HDAC1DAOMAPTHTT
SCHEMBL13952097 0.70 PARP1 (0.40) CA12HDAC1ACP3
SCHEMBL8128225 0.70 DAO (0.48) CA12HDAC1DAOMAPTHTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6967196-B1 Sulfonamide compounds and uses thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2005-11-22 US disclosed
US-6936633-B2 Pyrrolidinone derivatives UCB S.A. (BE) 2005-08-30 US disclosed
US-20050004180-A1 Pyrrolidinone derivatives USB S.A. (BE) 2005-01-06 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-20050004180-A1 Pyrrolidinone derivatives CCR2, CCR1, CCL2 CA12 4633/4885HDAC1 192/4885DAO 4762/4885

“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.