SCHEMBL3987990

SCHEMBL3987990

COc1ccc(CCC2(C3CCCC3)CC(O)=C(Sc3nc4cc(Cl)c(Cl)cc4n3C)C(=O)O2)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
EP300 Q09472 9/20 0.34
PDE5A O76074 3/20 0.33
BRD4 O60885 2/20 0.33
CREBBP Q92793 2/20 0.33
DRD1 P21728 3/20 0.32
DRD5 P21918 3/20 0.32
MAOB P27338 1/20 0.32
ADORA2A P29274 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
SCHEMBL3993880 0.94 EP300 (0.35) ALDH1A1EP300PDE5ABRD4CREBBP
SCHEMBL3987142 0.93 NTRK1 (0.37) ALDH1A1PDE5ADRD1DRD5
SCHEMBL3985193 0.87 MAPT (0.37) ALDH1A1PDE5A
SCHEMBL3994178 0.87 DRD1 (0.33) ALDH1A1EP300PDE5ABRD4CREBBP
SCHEMBL3985492 0.87 GNRHR (0.41) ALDH1A1EP300PDE5ABRD4CREBBP
SCHEMBL3989094 0.87 MEN1 (0.39) ALDH1A1EP300PDE5A
SCHEMBL3986455 0.87 P2RX3 (0.36) ALDH1A1
SCHEMBL3992022 0.87 ALDH1A1 (0.40) ALDH1A1PDE5A
SCHEMBL3988977 0.86 KMT2A (0.34) ALDH1A1PDE5A
SCHEMBL3990626 0.86 ALDH1A1 (0.36) ALDH1A1PDE5A

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 ALDH1A1 322/4885EP300 926/4885PDE5A 1635/4885
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same RNASE1, RNASEH1, NSUN3 ALDH1A1 322/4885EP300 926/4885PDE5A 1635/4885

“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.