SCHEMBL6076662

SCHEMBL6076662

CN(C)C(=O)CON(Cc1ccc(F)cc1)C(=O)/C=C1/OC(C)(C)OC1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
THRB P10828 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.32
KMT2A Q03164 2/20 0.31
RIPK1 Q13546 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MEN1 O00255 1/20 0.30
TRPM8 Q7Z2W7 1/20 0.30
LIPE Q05469 1/20 0.30

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
SCHEMBL6076668 1.00 MAPT (0.35) MAPTALDH1A1LMNATP53GAA
SCHEMBL6077375 0.90 TDP1 (0.36) MAPTALDH1A1LMNATP53GAA
SCHEMBL6077258 0.89 ALDH1A1 (0.36) MAPTALDH1A1LMNATP53GAA
SCHEMBL6079008 0.89 ALDH1A1 (0.36) MAPTALDH1A1LMNATP53GAA
SCHEMBL6077270 0.89 ALDH1A1 (0.34) MAPTALDH1A1LMNATP53GAA
SCHEMBL6879262 0.86 TDP1 (0.34) MAPTALDH1A1TDP1TSHRL3MBTL1
SCHEMBL6879264 0.86 TDP1 (0.34) MAPTALDH1A1TDP1TSHRL3MBTL1
SCHEMBL6078425 0.85 NR1D1 (0.37) MAPTALDH1A1LMNATP53TDP1
SCHEMBL6077514 0.85 ALDH1A1 (0.38) MAPTALDH1A1LMNATP53GAA
SCHEMBL6077512 0.85 ALDH1A1 (0.38) MAPTALDH1A1LMNATP53GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109186-B2 4-hydroxy-5-oxo-1-(2-[4-methylpiperazin-1-yl]ethyl)-2,5-dihydro-1H-pyrrole-3-carboxylic acid (3,4-dichlorobenzyl)-methyl-amide for human immunodeficiency virus (HIV) treatment BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-19 US disclosed
US-6777440-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-08-17 US disclosed
US-20040110804-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-06-10 US disclosed
US-20030176495-A1 HIV Integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-09-18 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 (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-20040110804-A1 HIV integrase inhibitors CDKN1A, SAMHD1, CTCF MAPT 1806/4885ALDH1A1 563/4885LMNA 3521/4885
US-20030176495-A1 HIV Integrase inhibitors MAPT, RIF1, HPRT1 MAPT 1/4885ALDH1A1 976/4885LMNA 2590/4885

“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.