SCHEMBL3378035

SCHEMBL3378035

N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(I)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 2/20 0.60
▸ FPR2 P25090 3/20 0.58
▸ HDAC8 Q9BY41 2/20 0.53
▸ CIT O14578 1/20 0.53
▸ ALPI P09923 1/20 0.53
▸ PKM P14618 1/20 0.53
▸ PTGS1 P23219 1/20 0.53
▸ XIAP P98170 1/20 0.53
▸ SLC7A5 Q01650 1/20 0.53
▸ LTA4H P09960 4/20 0.51
▸ CTSC P53634 1/20 0.50
▸ SLC15A1 P46059 1/20 0.50
▸ AKT1 P31749 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ HDAC3 O15379 1/20 0.49
▸ HDAC4 P56524 1/20 0.49
▸ HDAC1 Q13547 1/20 0.49

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
SCHEMBL3378044 1.00 BACE1 (0.60) BACE1FPR2HDAC8CITALPI
SCHEMBL28279157 0.89 BACE1 (0.63) BACE1HDAC8CITALPIPKM
SCHEMBL2312372 0.89 BACE1 (0.63) BACE1HDAC8CITALPIPKM
SCHEMBL2312361 0.89 BACE1 (0.63) BACE1HDAC8CITALPIPKM
Hydrochloric Acid SCHEMBL5960992 0.87 HDAC8 (0.65) BACE1HDAC8CITALPIPKM
Hydrochloric Acid SCHEMBL5960990 0.87 HDAC8 (0.65) BACE1HDAC8CITALPIPKM
SCHEMBL23477267 0.85 BACE1 (0.60) BACE1HDAC8CITALPIPKM
SCHEMBL7289465 0.85 BACE1 (0.60) BACE1HDAC8CITALPIPKM
SCHEMBL21880195 0.85 ROCK2 (0.60) BACE1HDAC8CITALPIPKM
SCHEMBL6663334 0.85 ROCK2 (0.60) BACE1HDAC8CITALPIPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101389609-B Hydantoin-based kinase inhibitors HOFFMANN LA ROCHE 2012-01-11 — — CN disclosed
EP-1989186-B1 HYDANTOIN BASED KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2010-11-17 — — EP disclosed
US-7612212-B2 2-[(S)-2-((S)-2,5-dioxo-4-phenyl-imidazolidin-1-yl)-4-methyl-pentanoylamino]-thiazole-4-carboxylic acid methyl ester; mitogen activated protein/extracellular signal regulated kinase kinase inhibitor; anticarcinogenic agent, cognition activator, nervous and autoimmune system disorders HOFFMANN-LA ROCHE INC. (US) 2009-11-03 — — US disclosed
CN-101389609-A Hydantoin-based kinase inhibitors HOFFMANN LA ROCHE (CH) 2009-03-18 — — CN disclosed
WO-2008101840-A1 COMBINATION OF ERLOTINIB AND MEK-INHIBITORS FOR INHIBITING PROLIFERATION OF TUMOR CELLS F. HOFFMANN-LA ROCHE AG (CH) 2008-08-28 — — WO disclosed
US-20080207563-A1 METHOD FOR INHIBITING PROLIFERATION OF TUMOR CELLS NIU HUIFENG 2008-08-28 — — US disclosed
US-20070197617-A1 Substituted hydantoins CHEN SHAOQING 2007-08-23 — — 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-20070197617-A1 Substituted hydantoins HNMT, HRH3, BRAF BACE1 763/4885FPR2 1792/4885HDAC8 441/4885
US-20080207563-A1 METHOD FOR INHIBITING PROLIFERATION OF TUMOR CELLS MKI67, BRAF, MYC BACE1 2882/4885FPR2 3342/4885HDAC8 2313/4885

“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.

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