SCHEMBL4262816

SCHEMBL4262816

O=C(Nc1ccc(-c2nc(-c3ccc(F)cc3)co2)cc1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
SMO Q99835 2/20 0.62
MEN1 O00255 6/20 0.57
KMT2A Q03164 6/20 0.57
POLB P06746 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
PTPN1 P18031 5/20 0.56
PTPN2 P17706 1/20 0.56
PTPN6 P29350 1/20 0.55
PTPN11 Q06124 1/20 0.55
ADCY1 Q08828 1/20 0.55
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
ALDH1A1 P00352 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51

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
SCHEMBL4254597 0.83 SMO (0.85) SMOMEN1KMT2AMAPTALDH1A1
SCHEMBL4254599 0.81 SMO (0.64) NPC1RAB9ASMOMEN1KMT2A
SCHEMBL4257047 0.81 SMO (0.66) NPC1RAB9ASMOMEN1KMT2A
SCHEMBL2567644 0.79 RAB9A (1.00) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL24473971 0.78 ADCY1 (0.74) NPC1RAB9ASMOMEN1KMT2A
Hydrochloric Acid SCHEMBL5797259 0.78 RAB9A (0.96) NPC1RAB9AMEN1KMT2APOLB
Iodide SCHEMBL30758609 0.78 RAB9A (0.96) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL4867523 0.77 HSD17B1 (0.53) NPC1RAB9ASMOADCY1LMNA
SCHEMBL4255752 0.77 SMO (0.64) NPC1RAB9ASMOMEN1KMT2A
SCHEMBL4255817 0.77 SMO (1.00) SMOMEN1KMT2AMAPTALDH1A1

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 NPC1 952/4885RAB9A 4455/4885SMO 1063/4885

“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.