SCHEMBL6018056

SCHEMBL6018056

Cn1c(-c2ccccc2)nc(C(=O)NCc2ccc(Cl)c(Cl)c2)c(O)c1=O

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 11/20 0.51
CNR2 P34972 9/20 0.51
MMP1 P03956 1/20 0.48
MMP7 P09237 1/20 0.48
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
MMP13 P45452 1/20 0.48
HPGD P15428 1/20 0.46
PPARG P37231 1/20 0.46
LIPG Q9Y5X9 1/20 0.45

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
SCHEMBL6017692 0.93 MMP1 (0.47) CNR1CNR2MMP1MMP7MMP9
SCHEMBL6017777 0.91 CNR1 (0.48) CNR1CNR2HPGD
SCHEMBL6017911 0.90 SCD (0.49) CNR1CNR2
SCHEMBL6018050 0.89 CLK4 (0.46) CNR1CNR2HPGD
SCHEMBL6017887 0.88 APEX1 (0.48) CNR1CNR2HPGDPPARG
SCHEMBL6017907 0.88 SCD (0.49) CNR1CNR2
SCHEMBL6017795 0.87 MMP1 (0.50) MMP1MMP7MMP9MMP8MMP13
SCHEMBL14173471 0.87 MMP1 (0.50) MMP1MMP7MMP9MMP8MMP13
SCHEMBL6017761 0.87 CNR1 (0.47) CNR1CNR2HPGD
SCHEMBL6017840 0.87 ALDH1A1 (0.55) MMP1MMP7MMP9MMP8MMP13

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 CNR1 2721/4885CNR2 2956/4885MMP1 4687/4885

“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.