SCHEMBL7543101

SCHEMBL7543101

CN(CCO)C(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.44
BRD4 O60885 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TACR1 P25103 2/20 0.41
AOC3 Q16853 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
UTS2R Q9UKP6 4/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL9495599 0.83 KDM4E (0.67) ATMKDM4EMAPTLMNAKMT2A
SCHEMBL1978300 0.78 HDAC4 (0.52) BRD4HDAC4HDAC7HDAC5AOC3
SCHEMBL7625137 0.78 TACR1 (0.52) MAPTBRD4LMNAKMT2ASMN1; SMN2
SCHEMBL7599760 0.73 KDM4E (0.63) ATMKDM4EMAPTLMNAKMT2A
SCHEMBL13114157 0.72 POLB (0.49) KDM4EBRD4HDAC4HDAC7HDAC5
SCHEMBL8716996 0.72 HRH3 (0.40) LMNATP53NPSR1AOC3ALDH1A1
SCHEMBL7632242 0.72 AOC3 (0.44) ATMBRD4LMNATP53KMT2A
SCHEMBL20715645 0.71 HPGD (0.51) HDAC4LMNAKMT2ASMN1; SMN2L3MBTL1
SCHEMBL9494093 0.71 KDM4E (0.65) ATMKDM4EMAPTLMNAKMT2A
SCHEMBL22221528 0.70 CYP1A2 (0.47) ATMMAPTLMNAKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6414179-B1 USEFUL AGENTS IN THE TREATMENT OF INFLAMMATORY DISEASES SUCH AS ASTHMA, ARTHRITIS, INFLAMMATORY BOWEL DISEASE AND NEURODEGENERATIVE DISEASES BRISTOL-MYERS SQUIBB COMPANY 2002-07-02 US disclosed
US-20020065246-A1 Alpha-and beta- substituted trifluoromethyl ketones as phospholipase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2002-05-30 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-20020065246-A1 Alpha-and beta- substituted trifluoromethyl ketones as phospholipase inhibitors PLA2G4B, PLA2G1B, PLA2R1 ATM 4722/4885KDM4E 2495/4885MAPT 4718/4885

“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.