SCHEMBL4875167

SCHEMBL4875167

[c]1cc(-c2c[c]c3ccccc3n2)nc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 6/20 0.39
HPGD P15428 5/20 0.39
GLA P06280 4/20 0.39
ACHE P22303 3/20 0.39
NQO2 P16083 3/20 0.39
HSD17B10 Q99714 3/20 0.39
MAOA P21397 2/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
CHRM2 P08172 1/20 0.39
ADRA2A P08913 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CHRM1 P11229 1/20 0.39
DRD1 P21728 1/20 0.39
SLC6A2 P23975 1/20 0.39
ADRA1A P35348 1/20 0.39

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
SCHEMBL4875157 0.88 RAB9A (0.46) MAPTALDH1A1KDM4EHPGDGLA
SCHEMBL234452 0.87 ACHE (0.47) MAPTALDH1A1KDM4EHPGDGLA
SCHEMBL8102371 0.87 KDM4E (0.50) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8090146 0.84 ALDH1A1 (0.38) MAPTALDH1A1KDM4EHPGDGLA
SCHEMBL29133411 0.84 DHODH (0.46) MAPTALDH1A1KDM4EHPGDACHE
SCHEMBL8087264 0.82 CYP2C9 (0.53) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4873250 0.82 NPC1 (0.42) MAPTALDH1A1KDM4EHPGDGLA
SCHEMBL8094325 0.82 METAP2 (0.45) KDM4ESMN1; SMN2ADORA3RAB9AKMT2A
SCHEMBL4901955 0.81 CYP1A1 (0.41) MAPTALDH1A1KDM4EGLARAB9A
SCHEMBL4912670 0.81 ALDH1A1 (0.45) MAPTALDH1A1KDM4EHPGDNQO2

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 MAPT 4095/4885ALDH1A1 404/4885KDM4E 2869/4885

“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.