SCHEMBL6018460

SCHEMBL6018460

CN(C)c1ccccc1-c1nc(C(=O)NCc2ccc(Cl)c(Cl)c2)c(O)c(=O)n1C

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 14/20 0.46
CNR2 P34972 13/20 0.46
HPGD P15428 1/20 0.41
WDR5 P61964 1/20 0.40
PPARG P37231 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL6017747 0.94 CNR1 (0.40) CNR1CNR2WDR5MEN1KMT2A
SCHEMBL6017791 0.89 KCNE1 (0.39) MEN1KMT2APOLBALDH1A1
SCHEMBL6017768 0.87 CNR1 (0.44) CNR1CNR2HPGDWDR5
SCHEMBL6017887 0.86 APEX1 (0.48) CNR1CNR2HPGDPPARG
SCHEMBL6018251 0.86 CNR1 (0.43) CNR1CNR2HPGDWDR5MEN1
SCHEMBL6018587 0.86 SMN1; SMN2 (0.51) MEN1KMT2APOLB
SCHEMBL6018056 0.86 CNR1 (0.51) CNR1CNR2HPGDPPARG
SCHEMBL6017876 0.85 WDR5 (0.49) CNR1CNR2HPGDWDR5ALDH1A1
SCHEMBL6018105 0.83 CNR1 (0.46) CNR1CNR2PPARG
SCHEMBL6018490 0.82 LMNA (0.45) CNR1CNR2HPGD

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-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
WO-2004096128-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-11 WO 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 CNR1 2721/4885CNR2 2956/4885HPGD 1117/4885

“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.