SCHEMBL769982

SCHEMBL769982

CCC(CO)CCn1cnc2c(=O)nc(N)[nH]c21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
KMT2A Q03164 2/20 0.46
TK1 P04183 2/20 0.43
BLM P54132 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
NFKB1 P19838 1/20 0.41
VCP P55072 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
HPRT1 P00492 6/20 0.39
PNP P00491 6/20 0.37
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
EDNRA P25101 1/20 0.37
HTR2A P28223 1/20 0.37
RECQL P46063 1/20 0.37
HBB P68871 1/20 0.37

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
Penciclovir SCHEMBL3494 0.93 TK1 (0.49) GAAKMT2ATK1BLMMEN1
Penciclovir SCHEMBL4240103 0.88 HPRT1 (0.47) KMT2ATK1BLMMEN1ALDH1A1
SCHEMBL133681 0.88 TK1 (0.43) GAAKMT2ATK1BLMMEN1
Penciclovir SCHEMBL454089 0.88 HPRT1 (0.47) KMT2ATK1BLMMEN1ALDH1A1
SCHEMBL15045959 0.88 GAA (0.43) GAAKMT2ATK1BLMMEN1
SCHEMBL15046000 0.88 GAA (0.42) GAAKMT2ATK1BLMMEN1
Water SCHEMBL15532449 0.87 TK1 (0.42) GAAKMT2ATK1BLMMEN1
SCHEMBL15257623 0.86 KMT2A (0.42) GAAKMT2ATK1BLMMEN1
Penciclovir SCHEMBL15568622 0.83 HPRT1 (0.42) KMT2ATK1BLMMEN1ALDH1A1
Tiviciclovir SCHEMBL15531845 0.83 BLM (0.45) GAAKMT2ATK1BLMMEN1

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-20150080417-A1 THERAPEUTIC COMPOSITION TO TREAT LESIONS CAUSED BY HERPES SIMPLEX VIRUS G2L TOUCH, INC. 2015-03-19 US disclosed
US-8853223-B2 Therapeutic composition to treat lesions caused by herpes simplex virus G2L TOUCH, INC. (US) 2014-10-07 US disclosed
US-20120071498-A1 THERAPEUTIC COMPOSITION TO TREAT LESIONS CAUSED BY HERPES SIMPLEX VIRUS G2L TOUCH, INC. 2012-03-22 US disclosed
US-20110065655-A1 THERAPEUTIC COMPOSITION TO TREAT LESIONS CAUSED BY HERPES SIMPLEX VIRUS GK VENTURES, INC. 2011-03-17 US 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 (3 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-20110065655-A1 THERAPEUTIC COMPOSITION TO TREAT LESIONS CAUSED BY HERPES SIMPLEX VIRUS G6PD, DUS2, MVD GAA 108/4885KMT2A 795/4885TK1 39/4885
US-20120071498-A1 THERAPEUTIC COMPOSITION TO TREAT LESIONS CAUSED BY HERPES SIMPLEX VIRUS EXOSC9, PSEN1, PSEN2 GAA 1179/4885KMT2A 595/4885TK1 31/4885
US-20150080417-A1 THERAPEUTIC COMPOSITION TO TREAT LESIONS CAUSED BY HERPES SIMPLEX VIRUS EXOSC9, PSEN1, PSEN2 GAA 1179/4885KMT2A 595/4885TK1 31/4885

“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.