SCHEMBL4254338

SCHEMBL4254338

Nc1ccc(-c2coc(-c3ccccc3)n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 3/20 0.62
ENPP1 P22413 2/20 0.62
MEN1 O00255 7/20 0.55
KMT2A Q03164 7/20 0.55
RAB9A P51151 6/20 0.55
NPC1 O15118 5/20 0.55
ALDH1A1 P00352 5/20 0.53
MAPT P10636 4/20 0.53
HPGD P15428 4/20 0.53
HSD17B10 Q99714 3/20 0.53
KDM4E B2RXH2 3/20 0.53
GLA P06280 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ALOX15 P16050 1/20 0.53
HSD17B1 P14061 1/20 0.51
HSD17B2 P37059 1/20 0.51
SMO Q99835 2/20 0.50
CYP3A4 P08684 2/20 0.48
TAAR1 Q96RJ0 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL11426983 0.93 ENPP3 (0.51) ENPP3ENPP1MEN1KMT2ARAB9A
SCHEMBL3271684 0.91 ENPP3 (0.72) ENPP3ENPP1MEN1KMT2ARAB9A
SCHEMBL11566150 0.91 ENPP3 (0.72) ENPP3ENPP1MEN1KMT2ARAB9A
SCHEMBL5664564 0.89 ENPP3 (0.75) ENPP3ENPP1MEN1KMT2ARAB9A
SCHEMBL278182 0.89 ENPP3 (0.69) ENPP3ENPP1MEN1KMT2ARAB9A
Benzene SCHEMBL16781371 0.89 ENPP3 (0.69) ENPP3ENPP1MEN1KMT2ARAB9A
SCHEMBL31606598 0.87 ENPP3 (0.67) ENPP3ENPP1MEN1KMT2ARAB9A
SCHEMBL28498941 0.85 ALDH1A1 (0.54) ENPP3ENPP1MEN1KMT2ARAB9A
SCHEMBL16515922 0.83 ALDH1A1 (0.56) ENPP3ENPP1MEN1KMT2ARAB9A
SCHEMBL10910393 0.82 ENPP3 (0.71) ENPP3ENPP1MEN1KMT2ARAB9A

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-8404722-B2 Oxazole compounds compositions and methods of use AMGEN INC. (US) 2013-03-26 US disclosed
US-20110060011-A1 OXAZOLE COMPOUNDS COMPOSITIONS AND METHODS OF USE AMGEN INC. (US) 2011-03-10 US disclosed
US-20110060011-A1 OXAZOLE COMPOUNDS COMPOSITIONS AND METHODS OF USE AMGEN INC. (US) 2011-03-10 US disclosed
US-20110060011-A1 OXAZOLE COMPOUNDS COMPOSITIONS AND METHODS OF USE AMGEN INC. (US) 2011-03-10 US disclosed
WO-2009151495-A2 OXAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AMGEN INC. (US) 2009-12-17 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-20110060011-A1 OXAZOLE COMPOUNDS COMPOSITIONS AND METHODS OF USE OXA1L, CYP11B2, CYP3A7 ENPP3 1154/4885ENPP1 1110/4885MEN1 1387/4885

“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.