SCHEMBL2884083

SCHEMBL2884083

CCn1cc(C#N)c2ccc(Cl)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HTT P42858 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TSHR P16473 1/20 0.44
MAPT P10636 2/20 0.40
PFKFB2 O60825 3/20 0.40
PFKFB1 P16118 3/20 0.40
PFKFB3 Q16875 3/20 0.40
STAT3 P40763 1/20 0.39
IMPDH2 P12268 1/20 0.39
POLB P06746 1/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
MAT2A P31153 2/20 0.38

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
SCHEMBL10095354 0.88 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2MEN1KMT2ATDP1
SCHEMBL10193325 0.83 L3MBTL1 (0.46) ALDH1A1SMN1; SMN2MEN1KMT2ATDP1
SCHEMBL981052 0.81 MAPT (0.43) ALDH1A1SMN1; SMN2MEN1KMT2ATDP1
SCHEMBL10095347 0.81 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2MEN1KMT2ATDP1
SCHEMBL981597 0.79 KIF11 (0.41) ALDH1A1SMN1; SMN2MEN1KMT2ATDP1
SCHEMBL980087 0.79 MEN1 (0.47) ALDH1A1SMN1; SMN2MEN1KMT2ATDP1
SCHEMBL981373 0.79 MAPT (0.44) ALDH1A1SMN1; SMN2MEN1KMT2ATDP1
SCHEMBL12334966 0.79 MAPT (0.44) ALDH1A1KMT2AMAPTPFKFB2PFKFB1
SCHEMBL981609 0.78 L3MBTL1 (0.45) SMN1; SMN2TDP1HTTMAPTPFKFB2
SCHEMBL7292220 0.77 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2MEN1KMT2ATDP1

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 24 patents — showing the first 20. 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
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 US 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
US-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
US-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
US-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 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 (4 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 ALDH1A1 1556/4885SMN1; SMN2 4841/4885MEN1 4550/4885
US-20070299068-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS ALDH1A1 1497/4885SMN1; SMN2 3609/4885MEN1 4800/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS ALDH1A1 591/4885SMN1; SMN2 4525/4885MEN1 4815/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP ALDH1A1 1067/4885SMN1; SMN2 4565/4885MEN1 4860/4885

“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.