SCHEMBL2255382

SCHEMBL2255382

O=C(Nc1ccccc1)[C@@H]1CNCO1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.48
LMNA P02545 2/20 0.48
HPGD P15428 4/20 0.46
POLB P06746 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 2/20 0.45
GAA P10253 1/20 0.45
GFER P55789 1/20 0.45
NPC1 O15118 2/20 0.45
TP53 P04637 2/20 0.45
F13A1 P00488 1/20 0.44
TGM2 P21980 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 4/20 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
SCHEMBL2252999 1.00 RAB9A (0.48) RAB9ALMNAHPGDPOLBMEN1
SCHEMBL14506022 1.00 RAB9A (0.48) RAB9ALMNAHPGDPOLBMEN1
SCHEMBL1318306 0.84 SSTR4 (0.51) RAB9ALMNAHPGDPOLBNPC1
SCHEMBL14506025 0.80 NAMPT (0.57) RAB9ALMNAPOLBMEN1KMT2A
SCHEMBL5180172 0.79 RAB9A (0.55) RAB9ALMNAHPGDPOLBMEN1
SCHEMBL1318357 0.76 RAB9A (0.41) RAB9ALMNAHPGDPOLBMEN1
Biphenyl SCHEMBL27408392 0.75 ALDH1A1 (0.39) RAB9ALMNAMEN1KMT2ANPC1
SCHEMBL2297677 0.74 HPGD (0.62) RAB9ALMNAHPGDPOLBMEN1
SCHEMBL5762322 0.73 RAB9A (0.54) RAB9ALMNAHPGDPOLBMEN1
SCHEMBL14505975 0.72 RAB9A (0.46) RAB9ALMNAHPGDPOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110178092-A1 HIV-1 Protease Inhibitors UNIVERSITY OF MARYLAND, COLLEGE PARK 2011-07-21 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-20110178092-A1 HIV-1 Protease Inhibitors SERPINB1, PRSS1, TMPRSS4 RAB9A 2712/4885LMNA 2776/4885HPGD 1888/4885

“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.