SCHEMBL10095243

SCHEMBL10095243

CCn1cc(C#N)c2ccc(OC(C)C)cc21

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 9/20 0.46
PFKFB1 P16118 7/20 0.46
PFKFB2 O60825 6/20 0.46
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL981751 0.88 PFKFB3 (0.45) PFKFB3PFKFB1PFKFB2MAPTL3MBTL1
SCHEMBL980087 0.85 MEN1 (0.47) PFKFB3PFKFB1PFKFB2MAPTL3MBTL1
SCHEMBL981609 0.83 L3MBTL1 (0.45) PFKFB3PFKFB1PFKFB2MAPTL3MBTL1
SCHEMBL10095263 0.81 L3MBTL1 (0.51) PFKFB3PFKFB1PFKFB2MAPTL3MBTL1
SCHEMBL981244 0.81 PFKFB3 (0.43) PFKFB3PFKFB1PFKFB2MAPTL3MBTL1
SCHEMBL982613 0.80 PFKFB3 (0.43) PFKFB3PFKFB1PFKFB2MAPTL3MBTL1
SCHEMBL984351 0.79 HRH3 (0.45) PFKFB3PFKFB1PFKFB2MAPTL3MBTL1
SCHEMBL10095242 0.77 MAOB (0.56) MAPTL3MBTL1LMNAHTTSMN1; SMN2
SCHEMBL10193325 0.77 L3MBTL1 (0.46) PFKFB3PFKFB1PFKFB2MAPTL3MBTL1
SCHEMBL2884083 0.76 ALDH1A1 (0.50) PFKFB3PFKFB1PFKFB2MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8927576-B2 HCV inhibitor and therapeutic agent combinations PTC Therpeutics, Inc. (US) 2015-01-06 US disclosed
US-8927576-B2 HCV inhibitor and therapeutic agent combinations PTC Therpeutics, Inc. (US) 2015-01-06 US disclosed
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 US disclosed
WO-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 WO disclosed
CN-101605758-A Methods of treating hepatitis C PTC THERAPEUTICS INC (US) 2009-12-16 CN disclosed
US-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus PTC THERAPEUTICS, INC. 2008-04-24 US disclosed
US-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus PTC THERAPEUTICS, INC. 2008-04-24 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 (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-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus EIF2AK2, INMT, IDO1 PFKFB3 3739/4885PFKFB1 3870/4885PFKFB2 3890/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS PFKFB3 4055/4885PFKFB1 4133/4885PFKFB2 4129/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP PFKFB3 4231/4885PFKFB1 4102/4885PFKFB2 4202/4885

“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.