SCHEMBL4883708

SCHEMBL4883708

COc1cccc(-c2ncc(-c3ccccc3)o2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.60
TSHR P16473 1/20 0.60
CASP1 P29466 1/20 0.60
ALDH1A1 P00352 5/20 0.58
HPGD P15428 5/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
KDM4E B2RXH2 4/20 0.58
KMT2A Q03164 4/20 0.56
PTPN1 P18031 3/20 0.56
F2 P00734 1/20 0.56
RAB9A P51151 5/20 0.55
NPC1 O15118 4/20 0.55
TP53 P04637 2/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
PTPN2 P17706 1/20 0.54
FLT1 P17948 1/20 0.53
FLT4 P35916 1/20 0.53

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
SCHEMBL1180099 0.93 KDM4E (0.68) ALOX15TSHRCASP1ALDH1A1HPGD
SCHEMBL4884059 0.86 KDM4E (0.71) ALDH1A1HPGDSMN1; SMN2KDM4EKMT2A
SCHEMBL10909733 0.84 TSHR (0.74) ALOX15TSHRCASP1ALDH1A1HPGD
SCHEMBL4875222 0.84 TSHR (0.74) ALOX15TSHRCASP1ALDH1A1HPGD
SCHEMBL12171798 0.84 VDR (0.57) ALOX15TSHRALDH1A1HPGDSMN1; SMN2
SCHEMBL18280244 0.84 ALOX15 (0.78) ALOX15TSHRCASP1ALDH1A1HPGD
SCHEMBL6693289 0.82 VCP (0.49) ALOX15TSHRCASP1ALDH1A1HPGD
SCHEMBL12796857 0.82 PPARD (0.54) ALOX15TSHRCASP1ALDH1A1HPGD
SCHEMBL9604648 0.82 NPC1 (0.54) ALOX15TSHRCASP1ALDH1A1HPGD
SCHEMBL2949331 0.81 TSHR (0.59) ALOX15TSHRCASP1ALDH1A1HPGD

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 ALOX15 2152/4885TSHR 4714/4885CASP1 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.