SCHEMBL6101072

SCHEMBL6101072

CCCCCCCCCCCCCCCC(=O)Oc1c2c(c(OC(=O)CCCCCCCCCCCCCCC)c3nccnc13)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 2/20 0.41
APAF1 O14727 2/20 0.37
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
PLA2G1B P04054 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
ALOX15 P16050 2/20 0.36
PTPN1 P18031 1/20 0.35
KMT2A Q03164 2/20 0.35
UCHL1 P09936 2/20 0.35
UCHL3 P15374 2/20 0.35
PROKR1 Q8TCW9 1/20 0.35
TP53 P04637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
BCHE P06276 1/20 0.34

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
SCHEMBL6101728 0.99 CDC25B (0.39) CDC25BAPAF1MAPTSMN1; SMN2CYP1A2
SCHEMBL5806753 0.95 CDC25B (0.38) CDC25BAPAF1MAPTSMN1; SMN2CYP1A2
SCHEMBL5794020 0.94 CDC25B (0.37) CDC25BAPAF1MAPTSMN1; SMN2CYP1A2
SCHEMBL6099553 0.84 ABCB11 (0.43) APAF1MAPTSMN1; SMN2CYP1A2CYP3A4
SCHEMBL5820682 0.83 HPGD (0.45) MAPTSMN1; SMN2KMT2ATSHR
SCHEMBL6101454 0.79 HPGD (0.42) MAPTSMN1; SMN2KMT2ATSHRTDP1
SCHEMBL5808490 0.78 ALDH1A1 (0.44) APAF1MAPTSMN1; SMN2CYP1A2CYP3A4
SCHEMBL5810421 0.77 APAF1 (0.37) APAF1MAPTSMN1; SMN2CYP1A2CYP3A4
SCHEMBL5767183 0.73 KMT2A (0.46) APAF1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL4210485 0.68 ALDH1A1 (0.55) MAPTSMN1; SMN2KMT2AALDH1A1TSHR

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-20060211724-A1 Hiv integrase inhibitors VERSCHUEREN GASTON W 2006-09-21 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-20060211724-A1 Hiv integrase inhibitors SULT1A1, SULT2A1, SULT1E1 CDC25B 3190/4885APAF1 4635/4885MAPT 4622/4885

“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.