SCHEMBL6017997

SCHEMBL6017997

Cn1c(-c2ccccc2N(CCO)Cc2ccc(Cl)c(Cl)c2)nc(C(=O)O)c(O)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 2/20 0.42
ERCC1 P07992 1/20 0.42
ERCC4 Q92889 1/20 0.42
RNASEH1 O60930 1/20 0.41
ALDH1A1 P00352 4/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HIF1A Q16665 1/20 0.34
CYP2C9 P11712 2/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
PPARG P37231 1/20 0.34
CCR2 P41597 2/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 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
SCHEMBL6017782 0.86 ERCC1 (0.42) FEN1ERCC1ERCC4ALDH1A1L3MBTL1
SCHEMBL4027602 0.77 PTGER1 (0.46) FEN1ERCC1ERCC4RNASEH1MEN1
SCHEMBL6018460 0.75 CNR1 (0.46) ALDH1A1MEN1KMT2APPARGHPGD
SCHEMBL6017938 0.73 KCNE1 (0.48) FEN1ERCC1ERCC4L3MBTL1MEN1
SCHEMBL6017887 0.72 APEX1 (0.48) PPARGHPGD
SCHEMBL6018105 0.70 CNR1 (0.46) PPARG
SCHEMBL6017747 0.69 CNR1 (0.40) MEN1KMT2A
SCHEMBL6018056 0.69 CNR1 (0.51) PPARGHPGD
SCHEMBL6017876 0.68 WDR5 (0.49) ALDH1A1MAPTKDM4EHPGDLMNA
SCHEMBL6018251 0.67 CNR1 (0.43) ALDH1A1MEN1KMT2AMAPTHPGD

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-7037908-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2006-05-02 US disclosed
US-20040229892-A1 Pyrimidine carboxamides; 5-hydroxy-2-(2-(1,1-Dioxo-6-[1,2]thiazinan-2-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamides; AIDS; AIDS related complex BRISTOL-MYERS SQUIBB COMPANY 2004-11-18 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-20040229892-A1 Pyrimidine carboxamides; 5-hydroxy-2-(2-(1,1-Dioxo-6-[1,2]thiazinan-2-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamides; AIDS; AIDS related complex DUT, CDK6, TYMS FEN1 1374/4885ERCC1 2446/4885ERCC4 1625/4885

“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.