SCHEMBL3984855

SCHEMBL3984855

COc1ccc(CCC2(C3CCCC3)CC(O)=C(Cc3nc4ccccc4c(=O)[nH]3)C(=O)O2)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 3/20 0.40
HPGD P15428 2/20 0.40
TP53 P04637 1/20 0.40
KDM4E B2RXH2 4/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 2/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
TNKS O95271 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
PARP1 P09874 1/20 0.36
PARP2 Q9UGN5 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
SCHEMBL3993991 0.93 LMNA (0.42) ALDH1A1MAPK1HPGDTP53KDM4E
SCHEMBL3992198 0.90 KDM4E (0.39) NPC1RAB9AALDH1A1MAPK1KDM4E
SCHEMBL3989134 0.88 HTR1A (0.40) RAB9AALDH1A1HPGDKDM4EMAPT
SCHEMBL3988500 0.87 MAPK1 (0.34) ALDH1A1MAPK1HPGDKDM4EMAPT
SCHEMBL3987826 0.84 PDE5A (0.33) NPC1RAB9AHPGDKMT2AMEN1
SCHEMBL3988397 0.82 POLB (0.38) ALDH1A1MAPK1KDM4EMAPTKMT2A
SCHEMBL3987706 0.82 EDNRA (0.36) ALDH1A1KMT2AMEN1
SCHEMBL13964239 0.80 MAPT (0.38) NPC1RAB9AALDH1A1MAPTKMT2A
SCHEMBL3987544 0.79 PTGS2 (0.39) ALDH1A1MAPK1MAPTKMT2ALMNA
SCHEMBL3985261 0.79 PDE5A (0.36) ALDH1A1MAPTKMT2AMEN1

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 NPC1 110/4885RAB9A 3188/4885ALDH1A1 322/4885
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same RNASE1, RNASEH1, NSUN3 NPC1 110/4885RAB9A 3188/4885ALDH1A1 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.