SCHEMBL4257536

SCHEMBL4257536

Nc1ccc(-c2nc(-c3cccc(Cl)c3)co2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.48
HSD17B2 P37059 1/20 0.48
ENPP3 O14638 2/20 0.43
ENPP1 P22413 2/20 0.43
TP53 P04637 2/20 0.43
NPC1 O15118 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
BACE1 P56817 1/20 0.42
NOTUM Q6P988 2/20 0.42
MAP4K4 O95819 4/20 0.42
SMO Q99835 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
IKBKB O14920 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL28498941 0.86 ALDH1A1 (0.54) HSD17B1HSD17B2ENPP3ENPP1TP53
SCHEMBL4254338 0.81 ENPP3 (0.62) HSD17B1HSD17B2ENPP3ENPP1TP53
SCHEMBL11426983 0.81 ENPP3 (0.51) HSD17B1HSD17B2ENPP3ENPP1TP53
SCHEMBL4267177 0.80 PSD (0.48) HSD17B1HSD17B2NPC1RAB9ASMN1; SMN2
SCHEMBL28860711 0.79 HSD17B1 (0.55) HSD17B1HSD17B2ENPP3ENPP1TP53
SCHEMBL16515922 0.78 ALDH1A1 (0.56) HSD17B1HSD17B2ENPP3ENPP1NPC1
SCHEMBL12170948 0.76 NPC1 (0.66) HSD17B1HSD17B2TP53NPC1TSHR
SCHEMBL29215204 0.76 HSD17B1 (0.45) HSD17B1HSD17B2TP53NPC1TSHR
SCHEMBL30910003 0.76 HSD17B1 (0.45) HSD17B1HSD17B2TP53NPC1TSHR
SCHEMBL30910010 0.76 FYN (0.49) HSD17B1HSD17B2ENPP3ENPP1TP53

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 6 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
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 HSD17B1 177/4885HSD17B2 139/4885ENPP3 1154/4885

“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.