SCHEMBL5880752

SCHEMBL5880752

COc1ccc(CCC2(C3CCCC3)CC(O)=C(Sc3nc4nc(C)cc(C)n4n3)C(=O)O2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
POLB P06746 3/20 0.40
HSD17B10 Q99714 3/20 0.40
MAPK1 P28482 2/20 0.40
USP2 O75604 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 4/20 0.37
HPGD P15428 3/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM1A O60341 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
RECQL P46063 1/20 0.36
ABCB1 P08183 1/20 0.36
PDE2A O00408 1/20 0.36
ABL1 P00519 1/20 0.36

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
SCHEMBL5880847 0.91 GAA (0.36) KMT2APOLBHSD17B10MAPK1USP2
SCHEMBL3993779 0.86 KMT2A (0.36) KMT2APOLBALDH1A1HPGDCYP3A4
SCHEMBL3987097 0.85 KMT2A (0.43) KMT2APOLBHSD17B10MAPK1USP2
SCHEMBL3987898 0.85 KMT2A (0.36) KMT2APOLBHSD17B10MAPK1USP2
SCHEMBL5881044 0.85 KMT2A (0.36) KMT2APOLBHSD17B10MAPK1ALDH1A1
SCHEMBL3987048 0.85 ALDH1A1 (0.37) KMT2APOLBHSD17B10MAPK1ALDH1A1
SCHEMBL5880778 0.84 ALDH1A1 (0.38) KMT2APOLBHSD17B10MAPK1USP2
SCHEMBL7186252 0.82 KMT2A (0.39) KMT2APOLBALDH1A1HPGDCYP3A4
SCHEMBL5881104 0.82 KMT2A (0.39) KMT2APOLBALDH1A1HPGDCYP3A4
SCHEMBL3992476 0.81 PDE2A (0.34) POLBHSD17B10MAPK1ALDH1A1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115658-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase AGOURON PHARMACEUTICALS, INC. (US) 2006-10-03 US disclosed
US-20040023958-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2004-02-05 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 (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-20040023958-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same POLRMT, RNGTT, RNASE1 KMT2A 3031/4885POLB 30/4885HSD17B10 1349/4885

“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.