SCHEMBL4576541

SCHEMBL4576541

NC(=O)C(=O)NCCOc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.65
MTNR1B P49286 1/20 0.65
RAB9A P51151 6/20 0.63
NPC1 O15118 5/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
HPGD P15428 2/20 0.63
L3MBTL1 Q9Y468 1/20 0.58
ALDH1A1 P00352 1/20 0.56
RECQL P46063 2/20 0.55
MAPT P10636 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
PKM P14618 2/20 0.54
EPHX2 P34913 1/20 0.54
PARP10 Q53GL7 1/20 0.53
LMNA P02545 1/20 0.52
POLB P06746 1/20 0.52
CASP3 P42574 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
TSHR P16473 1/20 0.52

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
SCHEMBL1053081 0.86 MTNR1A (0.69) MTNR1AMTNR1BRAB9ANPC1SMN1; SMN2
SCHEMBL3446802 0.82 MTNR1A (0.73) MTNR1AMTNR1BRAB9ANPC1SMN1; SMN2
SCHEMBL29639804 0.81 L3MBTL1 (0.70) MTNR1AMTNR1BRAB9ANPC1SMN1; SMN2
SCHEMBL13381586 0.80 MEN1 (0.75) MTNR1AMTNR1BRAB9ANPC1SMN1; SMN2
SCHEMBL3549720 0.80 L3MBTL1 (0.64) MTNR1AMTNR1BRAB9ANPC1SMN1; SMN2
SCHEMBL698008 0.80 MTNR1A (0.71) MTNR1AMTNR1BRAB9ANPC1SMN1; SMN2
SCHEMBL7428200 0.79 HPGD (0.61) MTNR1AMTNR1BRAB9ANPC1SMN1; SMN2
SCHEMBL6804590 0.79 MTNR1A (0.59) MTNR1AMTNR1BRAB9ANPC1SMN1; SMN2
SCHEMBL885015 0.79 MTNR1A (1.00) MTNR1AMTNR1BRAB9ANPC1SMN1; SMN2
SCHEMBL10310294 0.79 MTNR1A (0.59) MTNR1AMTNR1BRAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1673085-A4 C-MET MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2008-12-10 EP claimed
US-20080166359-A1 Methods of using MEK inhibitors EXELIXIS, INC. 2008-07-10 US claimed
EP-1673085-A2 C-MET MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-06-28 EP claimed
WO-2005030140-A2 C-MET MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-04-07 WO claimed

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-20080166359-A1 Methods of using MEK inhibitors BRAF, NRAS, KRAS MTNR1A 3690/4885MTNR1B 3481/4885RAB9A 1196/4885

“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.