SCHEMBL10096641

SCHEMBL10096641

CCn1c(-c2ccc(NC(=O)N3CCC(C)CC3)cc2)c(C#N)c2ccc(OC)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.45
THRB P10828 1/20 0.44
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 5/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP1A2 P05177 1/20 0.42
GAA P10253 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PDGFRB P09619 2/20 0.41
KIT P10721 1/20 0.41
FLT3 P36888 1/20 0.41
LMNA P02545 1/20 0.41
REV1 Q9UBZ9 1/20 0.40
BLM P54132 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIK1 P39086 1/20 0.39
GRIK2 Q13002 1/20 0.39
SCN9A Q15858 1/20 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
SCHEMBL10096372 0.91 SMN1; SMN2 (0.51) MAPTSMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL10096642 0.91 PDGFRB (0.50) EPHX2THRBMAPTMEN1KMT2A
SCHEMBL10096389 0.91 SMN1; SMN2 (0.53) EPHX2MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL10096370 0.89 BLM (0.54) MAPTSMN1; SMN2MEN1KMT2AGAA
SCHEMBL13152852 0.87 EPHX2 (0.47) EPHX2THRBMAPTSMN1; SMN2MEN1
SCHEMBL10095321 0.85 MTNR1A (0.47) EPHX2MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL12923068 0.85 GRIK2 (0.46) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL982759 0.84 GRIK2 (0.46) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL10095949 0.83 KDM4E (0.45) MAPTMEN1KMT2AKITGRIK1
SCHEMBL10097246 0.83 PFKFB2 (0.47) MAPTSMN1; SMN2MEN1KMT2AGRIK1

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 10 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-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 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-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

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-20070299068-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS EPHX2 2630/4885THRB 2087/4885MAPT 4477/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS EPHX2 2630/4885THRB 2087/4885MAPT 4477/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP EPHX2 2880/4885THRB 3193/4885MAPT 4044/4885

“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.