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SCHEMBL2209452

SCHEMBL2209452

COC(=O)N1CCn2c(nc(C(=O)NCc3ccc(F)cc3)c(O)c2=O)C1CN(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ KCNE1 P15382 1/20 0.41
▸ CCR1 P32246 1/20 0.41
▸ KCNQ1 P51787 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ LIPG Q9Y5X9 2/20 0.38
▸ CALCA P06881 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ ERCC1 P07992 1/20 0.37
▸ FEN1 P39748 1/20 0.37
▸ ERCC4 Q92889 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ RCE1 Q9Y256 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPK1 P28482 1/20 0.36

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
SCHEMBL2208031 0.91 KCNH2 (0.59) KCNH2CYP2C9KCNE1CCR1KCNQ1
SCHEMBL2206748 0.90 CYP2C9 (0.64) KCNH2CYP2C9KCNE1CCR1KCNQ1
SCHEMBL2207201 0.89 KCNH2 (0.61) KCNH2CYP2C9KCNE1CCR1KCNQ1
SCHEMBL2207126 0.85 KCNH2 (0.62) KCNH2CYP2C9KCNE1CCR1KCNQ1
SCHEMBL2206962 0.82 KCNH2 (0.52) KCNH2CYP2C9KCNE1CCR1KCNQ1
SCHEMBL2207315 0.82 KCNH2 (0.55) KCNH2CYP2C9KCNE1CCR1KCNQ1
SCHEMBL12243869 0.82 KCNH2 (0.60) KCNH2CYP2C9KCNE1CCR1KCNQ1
SCHEMBL2203689 0.81 KCNH2 (0.57) KCNH2CYP2C9KCNE1CCR1KCNQ1
SCHEMBL12244554 0.81 KCNH2 (0.59) KCNH2CYP2C9KCNE1CCR1KCNQ1
SCHEMBL12245767 0.80 KCNH2 (0.59) KCNH2CYP2C9KCNE1CCR1KCNQ1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253681-A1 HIV Integrase Inhibitors MSD ITALIA S.R.L. (IT) 2009-10-08 — — US claimed
US-20110257162-A1 HIV INTEGRASE INHIBITORS SUMMA VINCENZO 2011-10-20 — — US disclosed
US-7981879-B2 HIV integrase inhibitors Instituto di Ricerchi di Biologia Molecolare P. Angeletti S.p.A. (IT) 2011-07-19 — — US disclosed
US-7981879-B2 HIV integrase inhibitors Instituto di Ricerchi di Biologia Molecolare P. Angeletti S.p.A. (IT) 2011-07-19 — — US disclosed
US-20090253681-A1 HIV Integrase Inhibitors MSD ITALIA S.R.L. (IT) 2009-10-08 — — US disclosed
US-20090253681-A1 HIV Integrase Inhibitors MSD ITALIA S.R.L. (IT) 2009-10-08 — — 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 (2 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-20110257162-A1 HIV INTEGRASE INHIBITORS REV1, CDK9, INTS9 KCNH2 2918/4885CYP2C9 672/4885KCNE1 2704/4885
US-20090253681-A1 HIV Integrase Inhibitors REV1, INTS9, H1-10 KCNH2 3625/4885CYP2C9 449/4885KCNE1 3373/4885

“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.