SCHEMBL10096407

SCHEMBL10096407

CCn1c(-c2ccc(NC(=O)OCCCl)cc2)c(C#N)c2ccc(OCCCN3CCOCC3)cc21

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.45
HRH3 Q9Y5N1 4/20 0.44
HRH2 P25021 2/20 0.44
HRH1 P35367 2/20 0.44
KDR P35968 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RAF1 P04049 1/20 0.40
MAP2K1 Q02750 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
SCHEMBL10095712 0.94 POLB (0.46) EPHX2HRH3HRH2HRH1KDR
SCHEMBL10096409 0.94 HRH3 (0.46) EPHX2HRH3HRH2HRH1KDR
SCHEMBL10096398 0.93 HRH2 (0.44) EPHX2HRH3HRH2HRH1KDR
SCHEMBL10096396 0.93 HRH3 (0.47) EPHX2HRH3HRH2HRH1KDR
SCHEMBL10096347 0.92 EPHX2 (0.46) EPHX2
SCHEMBL10096411 0.90 EPHX2 (0.47) EPHX2HRH3HRH2HRH1KDR
SCHEMBL10096401 0.89 EPHX2 (0.49) EPHX2HRH3HRH2HRH1KDR
SCHEMBL10097633 0.89 EPHX2 (0.47) EPHX2HRH3KDRNPC1MAPT
SCHEMBL10096408 0.88 EPHX2 (0.49) EPHX2HRH3HRH2HRH1KDR
SCHEMBL10095710 0.87 HRH3 (0.47) HRH3HRH2HRH1

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 11 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-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-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-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

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 EPHX2 745/4885HRH3 1844/4885HRH2 678/4885
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS EPHX2 2630/4885HRH3 3336/4885HRH2 1760/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS EPHX2 2630/4885HRH3 3336/4885HRH2 1760/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP EPHX2 2880/4885HRH3 3196/4885HRH2 2629/4885

“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.