SCHEMBL3986458

SCHEMBL3986458

CCc1ccc(OCc2ccccc2)c(Br)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MAPT P10636 4/20 0.52
TP53 P04637 3/20 0.52
HPGD P15428 2/20 0.52
NPC1 O15118 1/20 0.52
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 1/20 0.47
TLR9 Q9NR96 1/20 0.47
FOLH1 Q04609 1/20 0.47
PTPN1 P18031 1/20 0.46
CCR5 P51681 2/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL2860906 0.91 RAB9A (0.50) RAB9ASMN1; SMN2MAPTTP53HPGD
SCHEMBL12563216 0.87 RAB9A (0.52) RAB9ASMN1; SMN2MAPTHPGDMAPK1
SCHEMBL1989845 0.85 SMN1; SMN2 (0.60) RAB9ASMN1; SMN2MAPTTP53HPGD
SCHEMBL3237202 0.85 RAB9A (0.56) RAB9ASMN1; SMN2MAPTHPGDMAPK1
SCHEMBL12772163 0.85 RAB9A (0.56) RAB9ASMN1; SMN2MAPTHPGDMAPK1
SCHEMBL1995693 0.85 RAB9A (0.56) RAB9ASMN1; SMN2MAPTHPGDNPC1
SCHEMBL13753876 0.84 MEN1 (0.56) RAB9ASMN1; SMN2MAPTHPGDNPC1
SCHEMBL4406802 0.83 RAB9A (0.55) RAB9ASMN1; SMN2HPGDKDM4ETLR9
Ammonia Solution, Strong SCHEMBL11688841 0.83 MEN1 (0.55) RAB9ASMN1; SMN2MAPTHPGDNPC1
SCHEMBL6183033 0.83 MAPT (0.51) RAB9ASMN1; SMN2MAPTHPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152227-A1 DEUTERIUM LABELLED DERIVATIVES OF 3-(2-HYDROXY-5-METHYPHENYL)-N,N-DIISOPROPYL-3-PHENYLPROPYLAMINE AND METHODS OF USE THEREOF CONCERT PHARMACEUTICALS INC. (US) 2011-06-23 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-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 (3 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 RAB9A 3188/4885SMN1; SMN2 3095/4885MAPT 3475/4885
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same RNASE1, RNASEH1, NSUN3 RAB9A 3188/4885SMN1; SMN2 3095/4885MAPT 3475/4885
US-20110152227-A1 DEUTERIUM LABELLED DERIVATIVES OF 3-(2-HYDROXY-5-METHYPHENYL)-N,N-DIISOPROPYL-3-PHENYLPROPYLAMINE AND METHODS OF USE THEREOF ADRB3, CHRM3, QDPR RAB9A 3208/4885SMN1; SMN2 2545/4885MAPT 2039/4885

“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.