SCHEMBL4689373

SCHEMBL4689373

CC[C@H](CC(=O)N1C(=O)OC[C@@H]1c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ NAAA Q02083 1/20 0.39
▸ IDH1 O75874 4/20 0.39
▸ RIPK1 Q13546 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TAAR1 Q96RJ0 2/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ GLS O94925 2/20 0.36
▸ IL6ST P40189 1/20 0.35

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
SCHEMBL4689378 1.00 NPC1 (0.44) NPC1LMNATP53HPGDRAB9A
SCHEMBL15471676 0.91 NPC1 (0.39) NPC1LMNATP53HPGDRAB9A
SCHEMBL15471678 0.91 NPC1 (0.39) NPC1LMNATP53HPGDRAB9A
SCHEMBL8152216 0.90 NPC1 (0.38) NPC1LMNATP53HPGDRAB9A
SCHEMBL8721288 0.90 NPC1 (0.38) NPC1LMNATP53HPGDRAB9A
SCHEMBL6950620 0.90 NPC1 (0.38) NPC1LMNATP53HPGDRAB9A
SCHEMBL6956757 0.90 NPC1 (0.38) NPC1LMNATP53HPGDRAB9A
SCHEMBL15474095 0.88 IDH1 (0.47) IDH1
SCHEMBL12103387 0.87 NPC1 (0.36) NPC1LMNATP53HPGDRAB9A
SCHEMBL23699057 0.85 HPGD (0.45) NPC1LMNATP53HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7427635-B2 Substituted hydantoins HOFFMANN-LA ROCHE INC. (US) 2008-09-23 — — US disclosed
EP-1781649-B1 SUBSTITUTED HYDANTOINS HOFFMANN LA ROCHE (CH) 2008-08-13 — — EP disclosed
EP-1781649-A2 SUBSTITUTED HYDANTOINS F. Hoffmann-Roche AG (CH) 2007-05-09 — — EP disclosed
US-20060041146-A1 Substituted hydantoins HOFFMANN-LA ROCHE AG 2006-02-23 — — US disclosed
WO-2006018188-A2 SUBSTITUTED HYDANTOINS F. HOFFMANN-LA ROCHE AG (CH) 2006-02-23 — — WO 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-20060041146-A1 Substituted hydantoins HNMT, MAPK6, KYNU NPC1 3832/4885LMNA 4792/4885TP53 913/4885

“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.

Send feedback