SCHEMBL2208982

SCHEMBL2208982

O=C(NCc1ccc(F)cc1)c1nc2n(c(=O)c1O)CCOCC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
KCNH2 Q12809 1/20 0.50
CYP2C9 P11712 1/20 0.50
KMT2A Q03164 1/20 0.47
TP53 P04637 1/20 0.46
KCNE1 P15382 1/20 0.45
CCR1 P32246 1/20 0.45
KCNQ1 P51787 1/20 0.45
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 3/20 0.43
CALCA P06881 1/20 0.43
GAA P10253 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
ERCC1 P07992 1/20 0.43
FEN1 P39748 1/20 0.43
ERCC4 Q92889 1/20 0.43
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GLA P06280 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
SCHEMBL13917324 0.91 KCNH2 (0.51) MAPTKCNH2CYP2C9KMT2ATP53
SCHEMBL1750602 0.87 MAPT (0.63) MAPTKCNH2CYP2C9TP53ALDH1A1
SCHEMBL1376535 0.87 MAPT (0.61) MAPTKCNH2CYP2C9TP53ALDH1A1
SCHEMBL1376994 0.86 MAPT (0.60) MAPTKCNH2CYP2C9TP53ALDH1A1
SCHEMBL5428690 0.85 MAPT (0.52) MAPTKCNH2CYP2C9TP53KCNE1
SCHEMBL2204798 0.82 MAPT (0.51) MAPTKCNH2CYP2C9KMT2ATP53
SCHEMBL2526463 0.81 KCNH2 (0.46) MAPTKCNH2CYP2C9KMT2ATP53
SCHEMBL6093745 0.81 KCNE1 (0.52) MAPTKCNH2CYP2C9KMT2ATP53
SCHEMBL13691708 0.81 KCNH2 (0.51) MAPTKCNH2CYP2C9TP53KCNE1
SCHEMBL87322 0.81 KCNH2 (0.51) MAPTKCNH2CYP2C9TP53KCNE1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7981879-B2 HIV integrase inhibitors Instituto di Ricerchi di Biologia Molecolare P. Angeletti S.p.A. (IT) 2011-07-19 US claimed
EP-1948666-B1 HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2010-03-17 EP claimed
US-20090253681-A1 HIV Integrase Inhibitors MSD ITALIA S.R.L. (IT) 2009-10-08 US claimed
EP-1948666-A1 HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2008-07-30 EP claimed
WO-2007061714-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO claimed
US-20070111984-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-05-17 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-8039458-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 US disclosed
US-8039458-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 US disclosed
US-8039458-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 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
EP-1948666-A1 HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2008-07-30 EP disclosed
WO-2007061714-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO disclosed
WO-2007061714-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO disclosed
US-20070111984-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-05-17 US disclosed
US-20070111984-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-05-17 US disclosed
US-20070111984-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-05-17 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 (3 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-20070111984-A1 HIV integrase inhibitors TYMP, POLN, IMPDH1 MAPT 3221/4885KCNH2 3129/4885CYP2C9 662/4885
US-20110257162-A1 HIV INTEGRASE INHIBITORS REV1, CDK9, INTS9 MAPT 2670/4885KCNH2 2918/4885CYP2C9 672/4885
US-20090253681-A1 HIV Integrase Inhibitors REV1, INTS9, H1-10 MAPT 3157/4885KCNH2 3625/4885CYP2C9 449/4885

“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.