SCHEMBL3989094

SCHEMBL3989094

COc1ccc(CCC2(C3CCCC3)CC(O)=C(Sc3nc4ccccc4n3C(C)C)C(=O)O2)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.36
GNRHR P30968 5/20 0.35
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 1/20 0.33
PDE5A O76074 3/20 0.33
P2RX3 P56373 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
OPRD1 P41143 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
EP300 Q09472 1/20 0.32
NTRK1 P04629 1/20 0.32
NTRK2 Q16620 1/20 0.32

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
SCHEMBL3985492 0.94 GNRHR (0.41) ALDH1A1GNRHRPDE5AP2RX3EP300
SCHEMBL3987142 0.92 NTRK1 (0.37) MEN1KMT2AALDH1A1KDM4EPDE5A
SCHEMBL3992022 0.89 ALDH1A1 (0.40) MEN1KMT2ASMN1; SMN2ALDH1A1RAB9A
SCHEMBL3986864 0.88 GNRHR (0.36) ALDH1A1GNRHRP2RX3
SCHEMBL3992344 0.87 PDE5A (0.33) ALDH1A1PDE5AP2RX3OPRD1
SCHEMBL3987990 0.87 ALDH1A1 (0.35) ALDH1A1PDE5AEP300
SCHEMBL3993880 0.85 EP300 (0.35) ALDH1A1GNRHRPDE5ATSHRHSD17B10
SCHEMBL3993083 0.84 GNRHR (0.41) MEN1KMT2ASMN1; SMN2GNRHRTSHR
SCHEMBL3987000 0.84 PDE5A (0.32) PDE5AOPRD1
SCHEMBL5880717 0.84 FOXO1 (0.38) MEN1KMT2ASMN1; SMN2ALDH1A1RAB9A

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-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
EP-1597246-A2 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2005-11-23 EP 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
WO-2004074270-A2 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2004-09-02 WO 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 MEN1 4559/4885KMT2A 2024/4885SMN1; SMN2 3095/4885
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same RNASE1, RNASEH1, NSUN3 MEN1 4559/4885KMT2A 2024/4885SMN1; SMN2 3095/4885

“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.