SCHEMBL4597295

SCHEMBL4597295

COC(=O)C(=[N+]=[N-])c1ccc(-c2ccc(C(F)(F)F)cc2)c(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.47
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
CYP2C8 P10632 1/20 0.41
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
APP P05067 1/20 0.40
BACE1 P56817 1/20 0.40
MAP4K4 O95819 1/20 0.39
PTPN1 P18031 1/20 0.39
MAPK14 Q16539 1/20 0.38
MYC P01106 1/20 0.38
MAX P61244 1/20 0.38
PPARA Q07869 1/20 0.38
PTGS2 P35354 1/20 0.38
PPARD Q03181 1/20 0.37

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
SCHEMBL14638979 0.85 CES2 (0.47) PTPN1CES2CES1
SCHEMBL5171097 0.84 PSEN1 (0.51) KDM1APSEN1PSEN2APH1BNCSTN
SCHEMBL5171104 0.84 PSEN1 (0.51) KDM1APSEN1PSEN2APH1BNCSTN
SCHEMBL28960214 0.78 NPSR1 (0.54) CES2
SCHEMBL6152817 0.77 CES2 (0.47) CES2
SCHEMBL4597071 0.73 CYP2C8 (0.65) KDM1APSEN1PSEN2APH1BNCSTN
SCHEMBL5171100 0.73 KDM1A (0.47) KDM1APSEN1PSEN2APH1BNCSTN
SCHEMBL28257808 0.72 ALDH1A1 (0.51)
SCHEMBL2267996 0.72 SLC2A1 (0.51) KDM1ACYP2C8AKR1C3AKR1C2PTPN1
SCHEMBL15999777 0.72 NOTUM (0.42) CES2

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-20080300261-A1 Arylacetic Acids and Related Compounds for Treatment of Alzheimer's Disease MERCK SHARP & DOHME LTD. (GB) 2008-12-04 US disclosed
EP-1773315-B1 ARYLACETIC ACIDS AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (GB) 2008-01-16 EP 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-20080300261-A1 Arylacetic Acids and Related Compounds for Treatment of Alzheimer's Disease PSEN2, PSEN1, NAT1 KDM1A 2033/4885PSEN1 2/4885PSEN2 1/4885

“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.