SCHEMBL4100201

SCHEMBL4100201

NCCP(=O)(O)OC(=O)C(=O)OP(=O)(O)CCN

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
LMNA P02545 3/20 0.39
BLM P54132 2/20 0.39
CYP3A4 P08684 1/20 0.39
NFKB1 P19838 1/20 0.39
PMP22 Q01453 1/20 0.39
GABBR2 O75899 3/20 0.36
GABBR1 Q9UBS5 3/20 0.36
CYP1A2 P05177 2/20 0.36
TSHR P16473 1/20 0.36
THPO P40225 1/20 0.36
CA4 P22748 1/20 0.35
GABRR1 P24046 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ADRB3 P13945 1/20 0.31
FDPS P14324 1/20 0.31
PDE4D Q08499 1/20 0.31
PDE3A Q14432 1/20 0.31

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
SCHEMBL4760429 0.88 LMNA (0.54) ALDH1A1LMNABLMCYP3A4NFKB1
SCHEMBL638964 0.87 ALDH1A1 (0.41) ALDH1A1LMNABLMCYP3A4NFKB1
SCHEMBL4717100 0.86 LMNA (0.46) ALDH1A1LMNABLMCYP3A4NFKB1
SCHEMBL4311069 0.79 CA4 (0.38) ALDH1A1LMNABLMCYP3A4NFKB1
SCHEMBL6051946 0.78 ALDH1A1 (0.41) ALDH1A1LMNABLMCYP3A4NFKB1
SCHEMBL8459566 0.74 ALDH1A1 (0.38) ALDH1A1LMNABLMGABBR2GABBR1
SCHEMBL23104805 0.72
SCHEMBL4534101 0.71 ALDH1A1 (0.44) ALDH1A1LMNABLMCYP3A4NFKB1
SCHEMBL29008682 0.70 ALDH1A1 (0.48) ALDH1A1LMNABLMCYP3A4NFKB1
Hydrochloric Acid SCHEMBL11048285 0.67 PPARD (0.61) ALDH1A1LMNABLMCYP3A4NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124617-A1 QUINOLONE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-05-14 US disclosed
US-7488739-B2 Quinolone derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2009-02-10 US disclosed
US-20080214503-A1 Hiv Integrase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-09-04 US disclosed
US-20080194523-A1 Hiv Integrase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-08-14 US disclosed
EP-1910356-A2 HIV INTEGRASE INHIBITORS SmithKline Beecham Corporation (US) 2008-04-16 EP disclosed
WO-2007019101-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 WO disclosed
US-20060148806-A1 Quinolone derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2006-07-06 US disclosed
EP-1650192-A1 QUINOLONE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2006-04-26 EP 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 (4 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-20090124617-A1 QUINOLONE DERIVATIVE OR SALT THEREOF THPO, ABL1, GMPS ALDH1A1 2093/4885LMNA 3380/4885BLM 148/4885
US-20080214503-A1 Hiv Integrase Inhibitors SAMHD1, ACIN1, API5 ALDH1A1 3374/4885LMNA 3741/4885BLM 3179/4885
US-20080194523-A1 Hiv Integrase Inhibitors ING2, API5, SAMHD1 ALDH1A1 3012/4885LMNA 4141/4885BLM 4124/4885
US-20060148806-A1 Quinolone derivative or salt thereof THPO, ABL1, GMPS ALDH1A1 2093/4885LMNA 3380/4885BLM 148/4885

“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.