SCHEMBL4879892

SCHEMBL4879892

CN(C)c1ccc(C=Cc2ncc(-c3ccccc3)o2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.54
RAB9A P51151 6/20 0.44
MAPT P10636 4/20 0.44
NPC1 O15118 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ALOX15 P16050 2/20 0.44
CASP1 P29466 2/20 0.44
HBB P68871 1/20 0.44
APP P05067 7/20 0.44
S100A4 P26447 1/20 0.43
GRM5 P41594 1/20 0.42
KDM4E B2RXH2 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 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
SCHEMBL4879888 1.00 RELA (0.54) RELARAB9AMAPTNPC1SMN1; SMN2
SCHEMBL4881439 0.85 ALOX15 (0.50) RAB9AMAPTNPC1SMN1; SMN2MEN1
SCHEMBL4881442 0.85 ALOX15 (0.50) RAB9AMAPTNPC1SMN1; SMN2MEN1
SCHEMBL13264727 0.75 RELA (0.80) RELARAB9AMAPTNPC1SMN1; SMN2
SCHEMBL4879301 0.75 ALOX15 (0.74) RELARAB9AMAPTNPC1SMN1; SMN2
SCHEMBL1809702 0.75 ALOX15 (0.74) RELARAB9AMAPTNPC1SMN1; SMN2
SCHEMBL4876228 0.74 CYP11B1 (0.57) RAB9AMAPTNPC1SMN1; SMN2MEN1
SCHEMBL4876221 0.74 CYP11B1 (0.57) RAB9AMAPTNPC1SMN1; SMN2MEN1
SCHEMBL4651175 0.73 NR4A2 (0.56) RELARAB9AMAPTNPC1SMN1; SMN2
SCHEMBL14065982 0.73 NR4A2 (0.56) RELARAB9AMAPTNPC1SMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080015193-A1 Certain azoles exhibiting ATP-utilizing enzyme inhibitory activity, compositions, and uses thereof AGRIUS GROUP, LLC. 2008-01-17 US claimed
WO-2007149395-A2 2,5-SUBSTITUTED OXAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF CANCER AMPHORA DISCOVERY CORPORATION (US) 2007-12-27 WO claimed
US-20080015193-A1 Certain azoles exhibiting ATP-utilizing enzyme inhibitory activity, compositions, and uses thereof AGRIUS GROUP, LLC. 2008-01-17 US disclosed
WO-2007149395-A2 2,5-SUBSTITUTED OXAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF CANCER AMPHORA DISCOVERY CORPORATION (US) 2007-12-27 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-20080015193-A1 Certain azoles exhibiting ATP-utilizing enzyme inhibitory activity, compositions, and uses thereof ATP5ME, ATP5MG, ATP5MK RELA 4858/4885RAB9A 3960/4885MAPT 4095/4885

“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.