SCHEMBL10096384

SCHEMBL10096384

CCCNC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC)cc3n2C(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.42
MAPT P10636 7/20 0.41
KDM4E B2RXH2 2/20 0.41
CASP1 P29466 2/20 0.41
CASP7 P55210 2/20 0.41
USP2 O75604 1/20 0.41
HPGD P15428 1/20 0.39
KDR P35968 1/20 0.39
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.38
TP53 P04637 2/20 0.37
HSD17B10 Q99714 1/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 1/20 0.37
DHODH Q02127 1/20 0.36
LMNA P02545 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
SCHEMBL10096371 0.95 MAPT (0.43) ADRB1MAPTKDM4ECASP1CASP7
SCHEMBL12105781 0.93 ADRB1 (0.42) ADRB1MAPTKDM4ECASP1CASP7
SCHEMBL10096394 0.93 ALDH1A1 (0.40) ADRB1MAPTKDM4ECASP1CASP7
SCHEMBL10096740 0.90 KMT2A (0.49) ADRB1MAPTKDM4ECASP1CASP7
SCHEMBL10096385 0.89 ALDH1A1 (0.44) ADRB1MAPTKDM4EKMT2AALDH1A1
SCHEMBL10096355 0.88 PFKFB2 (0.42) ADRB1MAPTKDM4ECASP1CASP7
SCHEMBL10096392 0.87 MAPT (0.43) ADRB1MAPTKDM4ECASP1CASP7
SCHEMBL10096350 0.86 ALDH1A1 (0.44) MAPTHPGDKDRKMT2AALDH1A1
SCHEMBL10096353 0.86 CYP1A2 (0.41) MAPTKDM4EHPGDKMT2AALDH1A1
SCHEMBL13152134 0.86 MAPT (0.42) MAPTKDM4EHPGDKDRKMT2A

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 16 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-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 US disclosed
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 US disclosed
US-7973069-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-07-05 US disclosed
US-7973069-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-07-05 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-20100292187-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-11-18 US disclosed
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-11-18 US disclosed
US-7781478-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-24 US disclosed
US-7781478-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-24 US disclosed
US-20070299069-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
US-20070299069-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 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 (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-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS ADRB1 1683/4885MAPT 3547/4885KDM4E 3422/4885
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS ADRB1 4150/4885MAPT 4477/4885KDM4E 4020/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS ADRB1 4150/4885MAPT 4477/4885KDM4E 4020/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP ADRB1 3924/4885MAPT 4044/4885KDM4E 4208/4885

“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.