SCHEMBL4876228

SCHEMBL4876228

C(=Cc1ncc(-c2ccccc2)o1)c1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.57
CYP11B2 P19099 1/20 0.57
ALDH1A1 P00352 5/20 0.55
RAB9A P51151 4/20 0.55
NPC1 O15118 3/20 0.55
KDM4E B2RXH2 3/20 0.55
HPGD P15428 2/20 0.55
HSD17B10 Q99714 1/20 0.55
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
HPGDS O60760 1/20 0.46
CYP1A2 P05177 2/20 0.45
CYP1A1 P04798 1/20 0.45
CYP1B1 Q16678 1/20 0.45
POLB P06746 1/20 0.43
ALOX15 P16050 1/20 0.42

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
SCHEMBL4876221 1.00 CYP11B1 (0.57) CYP11B1CYP11B2ALDH1A1RAB9ANPC1
SCHEMBL4881442 0.88 ALOX15 (0.50) CYP11B1CYP11B2ALDH1A1RAB9ANPC1
SCHEMBL4881439 0.88 ALOX15 (0.50) CYP11B1CYP11B2ALDH1A1RAB9ANPC1
SCHEMBL709560 0.77 RAB9A (0.61) CYP11B1CYP11B2ALDH1A1RAB9ANPC1
SCHEMBL5496395 0.75 CYP11B2 (1.00) CYP11B1CYP11B2ALDH1A1RAB9ANPC1
SCHEMBL9268248 0.75 CYP11B2 (1.00) CYP11B1CYP11B2ALDH1A1RAB9ANPC1
SCHEMBL31668803 0.75 CYP11B2 (1.00) CYP11B1CYP11B2ALDH1A1RAB9ANPC1
SCHEMBL4879892 0.74 RELA (0.54) ALDH1A1RAB9ANPC1KDM4EHPGD
SCHEMBL4879888 0.74 RELA (0.54) ALDH1A1RAB9ANPC1KDM4EHPGD
SCHEMBL29691623 0.73 CYP11B1 (0.86) CYP11B1CYP11B2ALDH1A1RAB9ANPC1

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 CYP11B1 259/4885CYP11B2 322/4885ALDH1A1 404/4885

“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.