SCHEMBL4254599

SCHEMBL4254599

O=C(Nc1ccc(-c2nc(-c3cccc(Cl)c3)co2)cc1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 2/20 0.64
CNR2 P34972 1/20 0.57
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
ADORA1 P30542 2/20 0.53
ADORA2A P29274 1/20 0.53
ALDH1A1 P00352 2/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KCNK3 O14649 1/20 0.51
KCNK9 Q9NPC2 1/20 0.51
PLAU P00749 1/20 0.50
ATR Q13535 1/20 0.50
KMT2A Q03164 4/20 0.49
MAPT P10636 3/20 0.49
MEN1 O00255 3/20 0.49
KDM4E B2RXH2 2/20 0.49
GAA P10253 1/20 0.49
GFER P55789 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
SCHEMBL4253028 0.87 SMO (0.81) SMOCNR2ALDH1A1HPGDKMT2A
SCHEMBL4257905 0.84 SMO (0.67) SMOCNR2NPC1RAB9AKMT2A
SCHEMBL4263804 0.82 SMO (0.74) SMOCNR2ALDH1A1HPGDKMT2A
SCHEMBL12170948 0.82 NPC1 (0.66) SMOCNR2NPC1RAB9ATSHR
SCHEMBL4257047 0.81 SMO (0.66) SMONPC1RAB9AALDH1A1HPGD
SCHEMBL4262816 0.81 NPC1 (0.62) SMONPC1RAB9AALDH1A1KCNK3
SCHEMBL4254933 0.81 SMO (0.79) SMONPC1RAB9AKMT2AMAPT
SCHEMBL4257702 0.80 SMO (0.60) SMONPC1RAB9AADORA1ALDH1A1
SCHEMBL16592480 0.78 ADORA1 (0.73) NPC1RAB9AADORA1ADORA2AALDH1A1
SCHEMBL4255817 0.78 SMO (1.00) SMOALDH1A1HPGDKMT2AMAPT

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 8 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 claimed
US-20110060011-A1 OXAZOLE COMPOUNDS COMPOSITIONS AND METHODS OF USE AMGEN INC. (US) 2011-03-10 US claimed
WO-2009151495-A2 OXAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AMGEN INC. (US) 2009-12-17 WO claimed
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
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 SMO 1063/4885CNR2 805/4885NPC1 952/4885

“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.