SCHEMBL4475840

SCHEMBL4475840

CC(C)=NNC(N)=NC(=O)Nc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
GAA P10253 4/20 0.51
ALDH1A1 P00352 3/20 0.51
NAPRT Q6XQN6 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KDM1A O60341 1/20 0.45
LMNA P02545 3/20 0.41
ATM Q13315 1/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 3/20 0.41
GFER P55789 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
CYP2D6 P10635 1/20 0.41
SLC6A2 P23975 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41

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
SCHEMBL24746975 0.81 GRIN2D (0.55) MAPTGAAALDH1A1NAPRTHSD17B10
SCHEMBL24747001 0.76 KDM1A (0.46) MAPTGAAALDH1A1NAPRTHSD17B10
SCHEMBL25857027 0.73 KDM1A (0.50) MAPTGAAALDH1A1NAPRTHSD17B10
Iodide SCHEMBL11467478 0.72 HSD17B10 (0.46) MAPTGAAALDH1A1NAPRTHSD17B10
Iodide SCHEMBL11467479 0.72 HSD17B10 (0.46) MAPTGAAALDH1A1NAPRTHSD17B10
SCHEMBL11668524 0.72 HDAC1 (0.51) ALDH1A1KDM1ALMNAHTR3EHTR3B
SCHEMBL25857261 0.72 KDM1A (0.45) MAPTGAANAPRTHSD17B10KDM1A
SCHEMBL24747095 0.71 GRIN2D (0.52) MAPTGAAALDH1A1NAPRTHSD17B10
SCHEMBL16139552 0.70 EPHX2 (0.54) MAPTGAAALDH1A1NAPRTHSD17B10
SCHEMBL7499424 0.69 GAA (0.60) MAPTGAAALDH1A1HSD17B10LMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268835-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2012-09-18 US disclosed
US-7622605-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2009-11-24 US disclosed
US-20090281122-A1 Inhibitors of Hepatitis C Virus RNA-Dependent RNA Polymerase, and Compositions and Treatments Using the Same PFIZER INC 2009-11-12 US disclosed
US-20070015764-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME AGOURON PHARMACEUTICALS, INC. 2007-01-18 US disclosed
US-7151105-B2 Inhibitors of Hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. (US) 2006-12-19 US disclosed
US-20060122399-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2006-06-08 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-20090281122-A1 Inhibitors of Hepatitis C Virus RNA-Dependent RNA Polymerase, and Compositions and Treatments Using the Same RNASE1, GTF3C4, POLRMT MAPT 3198/4885GAA 320/4885ALDH1A1 792/4885
US-20060122399-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same RNASE1, GTF3C4, POLRMT MAPT 3198/4885GAA 320/4885ALDH1A1 792/4885
US-20070015764-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME RNASE1, GTF3C4, POLRMT MAPT 3198/4885GAA 320/4885ALDH1A1 792/4885

“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.