SCHEMBL3988562

SCHEMBL3988562

O=c1cc(CCl)nc(C2CC2)[nH]1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
HIF1A Q16665 2/20 0.41
PDE2A O00408 11/20 0.39
HTT P42858 1/20 0.39
TMIGD3 P0DMS9 1/20 0.38
ADORA1 P30542 1/20 0.38
YTHDF3 Q7Z739 1/20 0.38
YTHDF1 Q9BYJ9 1/20 0.38
YTHDF2 Q9Y5A9 1/20 0.38

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
SCHEMBL15660792 0.77 JAK2 (0.44) HIF1APDE2ATMIGD3ADORA1
SCHEMBL23716809 0.73 DDB1 (0.47) SMN1; SMN2PDE2AHTTTMIGD3ADORA1
SCHEMBL1535571 0.69 PDE2A (0.53) PDE2A
SCHEMBL16867827 0.68 PDE2A (0.52) PDE2A
SCHEMBL10852395 0.67 SMN1; SMN2 (0.61) SMN1; SMN2HIF1AHTT
SCHEMBL10846547 0.67 PKM (0.66) SMN1; SMN2HIF1AHTT
SCHEMBL2484820 0.66 PDE2A (0.41) PDE2A
SCHEMBL10490276 0.64 POLB (0.66) SMN1; SMN2HIF1APDE2A
Hydrochloric Acid SCHEMBL11372552 0.61 HTR2B (0.45)
SCHEMBL10854371 0.61 PDE10A (0.34) SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7473790-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2009-01-06 US disclosed
US-7148226-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. (US) 2006-12-12 US disclosed
US-20060189681-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME AGOURON PHARMACEUTICALS, INC. 2006-08-24 US disclosed
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2005-08-11 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 (2 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-20060189681-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME RNASE1, RNASEH1, NSUN3 SMN1; SMN2 3095/4885HIF1A 805/4885PDE2A 1951/4885
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same RNASE1, RNASEH1, NSUN3 SMN1; SMN2 3095/4885HIF1A 805/4885PDE2A 1951/4885

“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.