SCHEMBL4257047

SCHEMBL4257047

O=C(Nc1ccc(-c2nc(-c3ccccc3Cl)co2)cc1)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 6/20 0.66
PTPN1 P18031 3/20 0.51
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
NPC1 O15118 3/20 0.49
CYP1A2 P05177 1/20 0.49
HPGD P15428 1/20 0.49
CYP2C19 P33261 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
RAB9A P51151 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
PKM P14618 1/20 0.48
PTPN2 P17706 1/20 0.48
MGAM O43451 1/20 0.47
GAA P10253 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
PRKDC P78527 1/20 0.46

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
SCHEMBL4259343 0.88 SMO (0.63) SMOMEN1KMT2ANPC1CYP1A2
SCHEMBL6525339 0.88 SMO (0.80) SMOMEN1KMT2ACYP1A2HPGD
SCHEMBL4260786 0.84 SMO (0.67) SMONPC1HPGDSMN1; SMN2RAB9A
SCHEMBL4262096 0.83 SMO (0.66) SMOMEN1KMT2ANPC1CYP2C19
SCHEMBL4254599 0.81 SMO (0.64) SMOPTPN1MEN1KMT2ANPC1
SCHEMBL4262816 0.81 NPC1 (0.62) SMOPTPN1MEN1KMT2ANPC1
SCHEMBL4263804 0.80 SMO (0.74) SMOMEN1KMT2ACYP1A2HPGD
SCHEMBL4255817 0.80 SMO (1.00) SMOMEN1KMT2ACYP1A2HPGD
SCHEMBL4257702 0.79 SMO (0.60) SMOPTPN1MEN1KMT2ANPC1
SCHEMBL12171980 0.78 NR1H4 (0.50) SMONPC1SMN1; SMN2RAB9AKDM4E

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 1063/4885PTPN1 1647/4885MEN1 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.