SCHEMBL4254597

SCHEMBL4254597

O=C(Nc1ccc(-c2nc(-c3ccc(F)cc3)co2)cc1)c1ccccc1Cl

nearest known ligand 0.85

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMO Q99835 17/20 0.85
MAPT P10636 1/20 0.55
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP1A2 P05177 1/20 0.54
HPGD P15428 1/20 0.54
CYP2C19 P33261 1/20 0.54
KMT2A Q03164 1/20 0.54
GRM4 Q14833 1/20 0.49
JAK2 O60674 1/20 0.49
TYK2 P29597 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
SCHEMBL4255817 0.92 SMO (1.00) SMOMAPTMEN1ALDH1A1CYP1A2
SCHEMBL4255752 0.87 SMO (0.64) SMOMAPTMEN1CYP2C19KMT2A
SCHEMBL6525339 0.86 SMO (0.80) SMOMAPTMEN1ALDH1A1CYP1A2
SCHEMBL4253028 0.84 SMO (0.81) SMOMAPTMEN1ALDH1A1CYP1A2
SCHEMBL4262816 0.83 NPC1 (0.62) SMOMAPTMEN1ALDH1A1KMT2A
SCHEMBL6300608 0.81 SMO (0.71) SMOMAPTMEN1CYP1A2HPGD
SCHEMBL4254933 0.81 SMO (0.79) SMOMAPTMEN1CYP2C19KMT2A
SCHEMBL4263804 0.80 SMO (0.74) SMOMAPTMEN1ALDH1A1CYP1A2
SCHEMBL4255803 0.80 SMO (0.78) SMOMAPTMEN1ALDH1A1CYP1A2
SCHEMBL4260786 0.78 SMO (0.67) SMOMAPTHPGDTYK2

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 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
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 1063/4885MAPT 2622/4885MEN1 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.