SCHEMBL2073692

SCHEMBL2073692

O=C(NCc1ccc(F)cc1)c1nc2n(c(=O)c1O)CCCSC2

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.54
KCNH2 Q12809 1/20 0.54
CYP2C9 P11712 1/20 0.54
GAA P10253 3/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CALCA P06881 1/20 0.45
POLB P06746 2/20 0.44
ERCC1 P07992 1/20 0.44
FEN1 P39748 1/20 0.44
ERCC4 Q92889 1/20 0.44
TP53 P04637 3/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
THRB P10828 1/20 0.42
KCNE1 P15382 1/20 0.42
CCR1 P32246 1/20 0.42
KCNQ1 P51787 1/20 0.42

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
SCHEMBL2073521 0.94 GAA (0.51) MAPTKCNH2CYP2C9GAANPSR1
SCHEMBL1750602 0.86 MAPT (0.63) MAPTKCNH2CYP2C9GAACALCA
SCHEMBL1376535 0.86 MAPT (0.61) MAPTKCNH2CYP2C9GAACALCA
SCHEMBL1376994 0.85 MAPT (0.60) MAPTKCNH2CYP2C9GAACALCA
SCHEMBL12775432 0.81 KCNH2 (0.53) MAPTKCNH2CYP2C9GAANPSR1
SCHEMBL2076303 0.80 KCNH2 (0.62) MAPTKCNH2CYP2C9GAANPSR1
SCHEMBL2204933 0.80 KCNH2 (0.51) MAPTKCNH2CYP2C9GAANPSR1
SCHEMBL13917324 0.80 KCNH2 (0.51) MAPTKCNH2CYP2C9GAANPSR1
SCHEMBL2208272 0.80 KCNH2 (0.53) MAPTKCNH2CYP2C9GAANPSR1
SCHEMBL5533078 0.79 GAA (0.67) MAPTKCNH2CYP2C9GAANPSR1

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-20070112190-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-05-17 US claimed
US-7897592-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-01 US disclosed
US-7897592-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-01 US disclosed
US-7897592-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-01 US disclosed
WO-2007059125-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-24 WO disclosed
WO-2007059125-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-24 WO disclosed
US-20070112190-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-05-17 US disclosed
US-20070112190-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-05-17 US disclosed
US-20070112190-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 (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-20070112190-A1 HIV integrase inhibitors TYMP, POLN, IMPDH1 MAPT 3221/4885KCNH2 3129/4885CYP2C9 662/4885

“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.