SCHEMBL4876062

SCHEMBL4876062

Cc1nc2ccc(-c3ncc(-c4cccnc4)o3)cc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.52
RAB9A P51151 7/20 0.52
ALDH1A1 P00352 6/20 0.52
HPGD P15428 6/20 0.52
NPC1 O15118 6/20 0.52
SMN1; SMN2 Q16637 6/20 0.52
STAT1 P42224 2/20 0.52
HCRTR1 O43613 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
HSD17B10 Q99714 3/20 0.51
DGAT1 O75907 2/20 0.49
POLB P06746 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 2/20 0.46
GFER P55789 1/20 0.46
GUSB P08236 1/20 0.46
QPCT Q16769 1/20 0.45

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
SCHEMBL4876706 0.88 RAB9A (0.60) KDM4ERAB9AALDH1A1HPGDNPC1
SCHEMBL30572606 0.82 QPCT (0.56) KDM4ERAB9AALDH1A1HPGDNPC1
SCHEMBL4883099 0.82 DGAT1 (0.67) KDM4ERAB9AALDH1A1HPGDNPC1
SCHEMBL4876207 0.80 PTPN1 (0.54) KDM4ERAB9AALDH1A1HPGDNPC1
SCHEMBL4882352 0.77 KDM4E (0.61) KDM4ERAB9AALDH1A1HPGDNPC1
SCHEMBL14395141 0.74 NPC1 (0.52) KDM4ERAB9AALDH1A1HPGDNPC1
SCHEMBL38656866 0.74 RAB9A (0.65) KDM4ERAB9AALDH1A1HPGDNPC1
SCHEMBL4882549 0.72 RAB9A (0.87) KDM4ERAB9AALDH1A1HPGDNPC1
SCHEMBL9973718 0.71 KDM4E (0.60) KDM4ERAB9AALDH1A1HPGDNPC1
SCHEMBL4884059 0.70 KDM4E (0.71) KDM4ERAB9AALDH1A1HPGDNPC1

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 2 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 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 KDM4E 2869/4885RAB9A 3960/4885ALDH1A1 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.