SCHEMBL4875259

SCHEMBL4875259

c1ccc(-c2cnc(-c3ccnc4ccccc34)o2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.56
CASP1 P29466 1/20 0.56
RAB9A P51151 6/20 0.55
NPC1 O15118 5/20 0.55
ATM Q13315 1/20 0.55
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 3/20 0.53
HPGD P15428 3/20 0.53
HSD17B10 Q99714 3/20 0.53
TGFBR1 P36897 1/20 0.50
MAPK14 Q16539 1/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
MITF O75030 1/20 0.49
PTPN1 P18031 3/20 0.47
GRM4 Q14833 3/20 0.46
HTR2B P41595 1/20 0.46
MTNR1A P48039 1/20 0.46
KCNH2 Q12809 1/20 0.46

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
SCHEMBL4883102 0.91 RAB9A (0.56) ALOX15TSHRCASP1RAB9ANPC1
SCHEMBL2758623 0.89 RAB9A (0.55) ALOX15TSHRCASP1RAB9ANPC1
SCHEMBL4342614 0.85 ALOX15 (0.69) ALOX15TSHRCASP1RAB9ANPC1
SCHEMBL2603403 0.85 KDM4E (0.56) ALOX15TSHRCASP1RAB9ANPC1
SCHEMBL2758627 0.80 NPC1 (0.44) ALOX15TSHRCASP1RAB9ANPC1
SCHEMBL1471533 0.78 RAB9A (0.77) ALOX15TSHRCASP1RAB9ANPC1
SCHEMBL29374630 0.78 RAB9A (0.62) ALOX15TSHRCASP1RAB9ANPC1
SCHEMBL75682 0.78 RAB9A (0.62) ALOX15TSHRCASP1RAB9ANPC1
SCHEMBL2603412 0.78 CYP11B2 (0.46) RAB9ANPC1ATMKDM4EALDH1A1
SCHEMBL35327 0.76 TGFBR1 (0.60) RAB9ANPC1KDM4EALDH1A1HPGD

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 3 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
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.