SCHEMBL4875222

SCHEMBL4875222

COc1ccc(-c2ncc(-c3ccccc3)o2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.74
ALOX15 P16050 1/20 0.74
CASP1 P29466 1/20 0.74
KDM4E B2RXH2 5/20 0.74
ALDH1A1 P00352 4/20 0.74
SMN1; SMN2 Q16637 4/20 0.74
HPGD P15428 3/20 0.74
RAB9A P51151 7/20 0.64
MEN1 O00255 1/20 0.64
MITF O75030 1/20 0.64
KMT2A Q03164 1/20 0.64
NPC1 O15118 6/20 0.63
PTPN1 P18031 5/20 0.60
LMNA P02545 3/20 0.58
MAPT P10636 3/20 0.58
MAPK1 P28482 1/20 0.58
HTT P42858 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
PTPN2 P17706 1/20 0.57
HSD17B10 Q99714 2/20 0.56

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
SCHEMBL10909733 1.00 TSHR (0.74) TSHRALOX15CASP1KDM4EALDH1A1
SCHEMBL5836178 0.95 KDM4E (0.68) TSHRALOX15CASP1KDM4EALDH1A1
SCHEMBL5836646 0.95 KDM4E (0.68) TSHRALOX15CASP1KDM4EALDH1A1
SCHEMBL1180905 0.93 KDM4E (0.72) TSHRALOX15CASP1KDM4EALDH1A1
SCHEMBL2949331 0.87 TSHR (0.59) TSHRALOX15CASP1KDM4EALDH1A1
SCHEMBL1180099 0.86 KDM4E (0.68) TSHRALOX15CASP1KDM4EALDH1A1
SCHEMBL75219 0.86 ALOX15 (1.00) TSHRALOX15CASP1KDM4EALDH1A1
SCHEMBL10726923 0.86 ALOX15 (1.00) TSHRALOX15CASP1KDM4EALDH1A1
SCHEMBL7078511 0.86 KDM4E (0.72) TSHRALOX15CASP1KDM4EALDH1A1
SCHEMBL2603426 0.86 KDM4E (0.72) TSHRALOX15CASP1KDM4EALDH1A1

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 5 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
US-4563413-A PHOTORESISTS, PRINTING PLATES HERCULES INCORPORATED (US) 1986-01-07 US 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 TSHR 4714/4885ALOX15 2152/4885CASP1 3523/4885

“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.