SCHEMBL4907155

SCHEMBL4907155

COC(=O)c1nc(-c2ccc(C)cc2)nc(O)c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
KDM4E B2RXH2 4/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
PKM P14618 1/20 0.50
TDP1 Q9NUW8 1/20 0.47
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 5/20 0.45
NPC1 O15118 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
ATM Q13315 1/20 0.45
KMT2A Q03164 3/20 0.43
GAA P10253 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL3837264 0.87 ALDH1A1 (0.50) ALDH1A1KDM4EPKMRAB9ASMN1; SMN2
SCHEMBL23467921 0.86 ERCC1 (0.56) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL6643744 0.81 IKBKB (0.51) KDM4EKMT2AGAAMEN1ADORA3
SCHEMBL13823961 0.80 HDAC4 (0.46) ALDH1A1KDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL13824143 0.76 POLB (0.46) KDM4ENPSR1RAB9ASMN1; SMN2MAPT
SCHEMBL10252036 0.75 DHPS (0.47) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL16075380 0.75 DHPS (0.47) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL5116917 0.75 TP53 (0.57) HPGDRAB9ASMN1; SMN2MAPTNPC1
SCHEMBL10252200 0.74 KDM4E (0.52) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL5113475 0.74 HTT (0.55) ALDH1A1KDM4EHPGDTDP1NPC1

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-20080076740-A1 Antiviral compounds GILEAD SCIENCES, INC. 2008-03-27 US disclosed
US-20080076740-A1 Antiviral compounds GILEAD SCIENCES, INC. 2008-03-27 US disclosed
US-20080076740-A1 Antiviral compounds GILEAD SCIENCES, INC. 2008-03-27 US disclosed
WO-2007014352-A2 ANTIVIRAL PHOSPHONATE CONJUGATES FOR INHIBITION OF HIV GILEAD SCIENCES, INC. (US) 2007-02-01 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-20080076740-A1 Antiviral compounds EIF2AK2, MAVS, ITPA ALDH1A1 4716/4885KDM4E 2067/4885HPGD 4460/4885

“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.