SCHEMBL2205364

SCHEMBL2205364

CC(=O)N1CCn2c(nc(C(=O)NCc3ccc(F)cc3)c(O)c2=O)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.51
CYP2C9 P11712 1/20 0.51
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
KCNE1 P15382 1/20 0.44
CCR1 P32246 1/20 0.44
KCNQ1 P51787 1/20 0.44
CALCA P06881 1/20 0.43
GAA P10253 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ERCC1 P07992 1/20 0.42
FEN1 P39748 1/20 0.42
ERCC4 Q92889 1/20 0.42
LIPG Q9Y5X9 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
GFER P55789 1/20 0.41

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
SCHEMBL2204798 0.91 MAPT (0.51) KCNH2CYP2C9MAPTSMN1; SMN2KCNE1
SCHEMBL2204180 0.89 KCNH2 (0.49) KCNH2CYP2C9MAPTSMN1; SMN2KCNE1
SCHEMBL2208272 0.88 KCNH2 (0.53) KCNH2CYP2C9MAPTSMN1; SMN2KCNE1
SCHEMBL5448153 0.88 KCNH2 (0.48) KCNH2CYP2C9MAPTSMN1; SMN2KCNE1
SCHEMBL2205290 0.88 CYP2C9 (0.58) KCNH2CYP2C9MAPTSMN1; SMN2KCNE1
SCHEMBL2203924 0.83 KCNH2 (0.51) KCNH2CYP2C9MAPTSMN1; SMN2KCNE1
SCHEMBL1376535 0.82 MAPT (0.61) KCNH2CYP2C9MAPTCALCAGAA
SCHEMBL1750602 0.82 MAPT (0.63) KCNH2CYP2C9MAPTCALCAGAA
SCHEMBL5537328 0.82 KCNH2 (0.51) KCNH2CYP2C9MAPTSMN1; SMN2KCNE1
SCHEMBL2209177 0.82 ALDH1A1 (0.52) KCNH2CYP2C9MAPTSMN1; SMN2CALCA

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 9 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-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-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
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 672/4885MAPT 2670/4885
US-20090253681-A1 HIV Integrase Inhibitors REV1, INTS9, H1-10 KCNH2 3625/4885CYP2C9 449/4885MAPT 3157/4885

“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.