SCHEMBL7052324

SCHEMBL7052324

CCCCCCCC(=O)Nc1ncnc2nc[nH]c12

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.61
HDAC2 Q92769 1/20 0.61
BRD4 O60885 10/20 0.58
AURKA O14965 1/20 0.57
XDH P47989 1/20 0.56
BRPF1 P55201 1/20 0.54
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HPGD P15428 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL5192969 1.00 HDAC1 (0.61) HDAC1HDAC2BRD4AURKAXDH
SCHEMBL27570011 0.86 HDAC1 (0.58) HDAC1HDAC2BRD4AURKABRPF1
SCHEMBL3298684 0.82 BRD4 (0.56) HDAC1HDAC2BRD4AURKAHTT
SCHEMBL5194370 0.81 XDH (0.53) HDAC1HDAC2AURKAXDHSMN1; SMN2
SCHEMBL6435213 0.81 XDH (0.46) HDAC1HDAC2BRD4AURKAXDH
SCHEMBL7052321 0.81 XDH (0.61) HDAC1HDAC2BRD4AURKAXDH
SCHEMBL5193809 0.81 XDH (0.61) HDAC1HDAC2BRD4AURKAXDH
SCHEMBL28828155 0.79 BRD4 (0.59) HDAC1HDAC2BRD4HTTSMN1; SMN2
SCHEMBL2623138 0.79 XDH (0.62) HDAC1HDAC2BRD4AURKAXDH
SCHEMBL38663949 0.78 BRD4 (0.58) HDAC1HDAC2BRD4HTTSMN1; SMN2

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-6600044-B2 Such as cis-(-)-4-amino-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-2(1H)-pyrimidinone (lamivudine, 3TC) or emtricitabine via anomerization/transglycosylation BRANTFORD CHEMICALS INC. 2003-07-29 US disclosed
US-20030013880-A1 Process for recovery of the desired cis-1,3-oxathiolane nucleosides from their undesired trans-isomers APOTEX PHARMACHEM INC (CA) 2003-01-16 US disclosed
EP-0217580-A2 Therapeutic nucleosides THE WELLCOME FOUNDATION LIMITED (GB) 1987-04-08 EP 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-20030013880-A1 Process for recovery of the desired cis-1,3-oxathiolane nucleosides from their undesired trans-isomers SLC29A1, NUDT1, SLC28A1 HDAC1 2911/4885HDAC2 4302/4885BRD4 4832/4885

“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.