SCHEMBL3987639

SCHEMBL3987639

CCc1cc(CCC2(C3CCCC3)CC(O)=C(Cc3nc4nc(C)cc(C)n4n3)C(=O)O2)ccc1OCCNC(C)=O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 2/20 0.34
POLB P06746 3/20 0.33
TP53 P04637 3/20 0.33
NPC1 O15118 1/20 0.33
TSHR P16473 1/20 0.32
RECQL P46063 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL4478972 0.96 KMT2A (0.36) KMT2AMEN1ALDH1A1POLBTP53
SCHEMBL4482303 0.94 KMT2A (0.35) KMT2AMEN1ALDH1A1POLBTP53
SCHEMBL4477159 0.92 KMT2A (0.36) KMT2AMEN1ALDH1A1POLBTP53
SCHEMBL3990970 0.92 TSHR (0.35) KMT2AMEN1ALDH1A1POLBTP53
SCHEMBL4472416 0.90 TSHR (0.34) KMT2AMEN1ALDH1A1POLBTP53
SCHEMBL3988145 0.90 TSHR (0.34) KMT2AMEN1ALDH1A1POLBTP53
SCHEMBL5330009 0.90 TSHR (0.34) KMT2AMEN1ALDH1A1POLBTP53
SCHEMBL3986424 0.90 ALDH1A1 (0.39) KMT2AMEN1ALDH1A1POLBTP53
SCHEMBL4466488 0.88 POLB (0.35) KMT2AALDH1A1POLBTP53NPC1
SCHEMBL4473793 0.88 TSHR (0.33) KMT2AMEN1ALDH1A1POLBTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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-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-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 KMT2A 2024/4885MEN1 4559/4885ALDH1A1 322/4885
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same RNASE1, RNASEH1, NSUN3 KMT2A 2024/4885MEN1 4559/4885ALDH1A1 322/4885

“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.