SCHEMBL6363003

SCHEMBL6363003

O=C(O)N[C@@H](CCO)C(=O)Nc1ccc(I)cn1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 1/20 0.38
TSHR P16473 4/20 0.36
RAB9A P51151 2/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 2/20 0.33
DGAT1 O75907 1/20 0.33
TP53 P04637 1/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL6363010 1.00 L3MBTL1 (0.38) L3MBTL1MAPK1TSHRRAB9AMAPT
SCHEMBL4160236 0.75 RAB9A (0.48) L3MBTL1TSHRRAB9AMAPTMEN1
SCHEMBL4855538 0.73 MAP2K1 (0.41) MAPT
SCHEMBL19435387 0.69 L3MBTL1 (0.60) L3MBTL1MAPK1TSHRRAB9AMAPT
SCHEMBL5546850 0.69 HTT (0.41) L3MBTL1MAPK1TSHRRAB9AMAPT
SCHEMBL28514263 0.69 NPC1 (0.49) L3MBTL1MAPK1RAB9ANPC1SMN1; SMN2
SCHEMBL6361968 0.68 ALDH1A1 (0.57) TSHRRAB9ANPC1ALDH1A1LMNA
SCHEMBL6361959 0.68 ALDH1A1 (0.57) TSHRRAB9ANPC1ALDH1A1LMNA
SCHEMBL3408832 0.67 TSHR (0.68) L3MBTL1MAPK1TSHRRAB9ANPC1
SCHEMBL6470527 0.67 PSEN1 (0.52)

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-20050059726-A1 Pyrrolidine-2-ones as factor xa inhibitors GLAXO GROUP LIMITED (GB) 2005-03-17 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-20050059726-A1 Pyrrolidine-2-ones as factor xa inhibitors TFPI, F2, SERPINC1 L3MBTL1 4629/4885MAPK1 3874/4885TSHR 2187/4885

“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.