SCHEMBL6018490

SCHEMBL6018490

Cn1c(-c2ccccc2N2CCOCC2)nc(C(=O)NCc2ccc(Cl)c(Cl)c2)c(O)c1=O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
GAA P10253 1/20 0.45
MCOLN3 Q8TDD5 1/20 0.45
CNR1 P21554 8/20 0.43
CNR2 P34972 7/20 0.43
PTGES O14684 1/20 0.42
HPGD P15428 1/20 0.40
SMYD2 Q9NRG4 2/20 0.40
STAT6 P42226 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PIK3CD O00329 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
SCHEMBL6017888 0.95 MAPT (0.41) LMNAGAAMCOLN3PTGESPIK3CD
SCHEMBL6017820 0.91 PIK3CD (0.41) PIK3CD
SCHEMBL6017752 0.88 KCNE1 (0.49) LMNAGAAHPGDSMN1; SMN2PIK3CD
SCHEMBL6094568 0.84 LMNA (0.51) LMNACNR1CNR2PTGESHPGD
SCHEMBL6017887 0.83 APEX1 (0.48) CNR1CNR2HPGD
SCHEMBL823397 0.82 LMNA (0.47) LMNAGAAMCOLN3CNR1CNR2
SCHEMBL6018056 0.82 CNR1 (0.51) CNR1CNR2HPGD
SCHEMBL6018460 0.82 CNR1 (0.46) CNR1CNR2HPGD
SCHEMBL6017876 0.82 WDR5 (0.49) LMNACNR1CNR2HPGDSMN1; SMN2
SCHEMBL12956702 0.82 LMNA (0.42) LMNAGAAMCOLN3CNR1CNR2

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 LMNA 3623/4885GAA 1910/4885MCOLN3 4842/4885

“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.