SCHEMBL4876204

SCHEMBL4876204

c1ccc(-c2cnc(-c3ccc4[nH]cnc4c3)o2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.59
TSHR P16473 1/20 0.59
CASP1 P29466 1/20 0.59
RAB9A P51151 5/20 0.52
MEN1 O00255 1/20 0.52
MITF O75030 1/20 0.52
KMT2A Q03164 1/20 0.52
HSD17B1 P14061 1/20 0.49
HSD17B2 P37059 1/20 0.49
NPC1 O15118 4/20 0.49
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
HSD17B10 Q99714 2/20 0.49
PTPN1 P18031 5/20 0.48
PTPN2 P17706 1/20 0.48
TP53 P04637 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47

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
Hydrochloric Acid SCHEMBL4883209 0.99 ALOX15 (0.58) ALOX15TSHRCASP1RAB9AMEN1
SCHEMBL4880550 0.80 ALOX15 (0.58) ALOX15TSHRCASP1RAB9AMEN1
SCHEMBL2457365 0.78 QPCT (0.50) ALOX15RAB9ANPC1KDM4EALDH1A1
SCHEMBL18280244 0.77 ALOX15 (0.78) ALOX15TSHRCASP1RAB9AMEN1
SCHEMBL75219 0.77 ALOX15 (1.00) ALOX15TSHRCASP1RAB9AMEN1
SCHEMBL10726923 0.77 ALOX15 (1.00) ALOX15TSHRCASP1RAB9AMEN1
SCHEMBL5340017 0.76 IMPDH2 (0.60)
SCHEMBL22418755 0.76 QPCT (0.47) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL28190280 0.76 QPCT (0.47) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL4883928 0.75 ALOX15 (0.59) ALOX15TSHRCASP1RAB9AMEN1

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
US-20080015193-A1 Certain azoles exhibiting ATP-utilizing enzyme inhibitory activity, compositions, and uses thereof AGRIUS GROUP, LLC. 2008-01-17 US disclosed
US-20080015193-A1 Certain azoles exhibiting ATP-utilizing enzyme inhibitory activity, compositions, and uses thereof AGRIUS GROUP, LLC. 2008-01-17 US disclosed
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.