SCHEMBL16282925

SCHEMBL16282925

COC(=O)NC(C(=O)N1CC=CC1c1nc(-c2ccc(-c3ccc(-c4c[nH]c([C@@H]5CCCN5C(=O)C(NC(=O)OC)c5ccccc5)n4)cc3)cc2)c[nH]1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.50
CYP3A4 P08684 12/20 0.45
CYP2C9 P11712 10/20 0.43
NR1I2 O75469 2/20 0.43
ABCB11 O95342 1/20 0.43
OPRK1 P41145 1/20 0.43
CYP2C19 P33261 5/20 0.42
CYP1A2 P05177 5/20 0.42
CYP2D6 P10635 4/20 0.42
PRCP P42785 2/20 0.37

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
SCHEMBL19620069 1.00 KCNH2 (0.50) KCNH2CYP3A4CYP2C9NR1I2ABCB11
SCHEMBL17751541 1.00 KCNH2 (0.50) KCNH2CYP3A4CYP2C9NR1I2ABCB11
SCHEMBL16282902 1.00 KCNH2 (0.50) KCNH2CYP3A4CYP2C9NR1I2ABCB11
SCHEMBL16282927 0.95 CYP3A4 (0.54) KCNH2CYP3A4CYP2C9NR1I2ABCB11
SCHEMBL16282930 0.95 CYP3A4 (0.54) KCNH2CYP3A4CYP2C9NR1I2ABCB11
SCHEMBL19620065 0.95 CYP3A4 (0.54) KCNH2CYP3A4CYP2C9NR1I2ABCB11
SCHEMBL19620064 0.95 CYP3A4 (0.54) KCNH2CYP3A4CYP2C9NR1I2ABCB11
SCHEMBL17751539 0.95 CYP3A4 (0.54) KCNH2CYP3A4CYP2C9NR1I2ABCB11
SCHEMBL16282901 0.95 CYP3A4 (0.54) KCNH2CYP3A4CYP2C9NR1I2ABCB11
SCHEMBL16282903 0.95 CYP3A4 (0.54) KCNH2CYP3A4CYP2C9NR1I2ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160136134-A1 ANTIVIRAL COMPOUNDS HIGHLY EFFECTIVE AS HCV-NS5A INHIBITOR AB Pharma Ltd. (CN) 2016-05-19 US disclosed
US-20160136134-A1 ANTIVIRAL COMPOUNDS HIGHLY EFFECTIVE AS HCV-NS5A INHIBITOR AB Pharma Ltd. (CN) 2016-05-19 US disclosed
US-20140364429-A1 ANTIVIRAL COMPOUNDS HIGHLY EFFECTIVE AS HCV-NS5A INHIBITOR AB Pharma Ltd. (CN) 2014-12-11 US disclosed
US-20140364429-A1 ANTIVIRAL COMPOUNDS HIGHLY EFFECTIVE AS HCV-NS5A INHIBITOR AB Pharma Ltd. (CN) 2014-12-11 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 (2 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-20160136134-A1 ANTIVIRAL COMPOUNDS HIGHLY EFFECTIVE AS HCV-NS5A INHIBITOR MAVS, HAVCR2, EIF2AK2 KCNH2 4178/4885CYP3A4 809/4885CYP2C9 1423/4885
US-20140364429-A1 ANTIVIRAL COMPOUNDS HIGHLY EFFECTIVE AS HCV-NS5A INHIBITOR MAVS, HAVCR2, EIF2AK2 KCNH2 4178/4885CYP3A4 809/4885CYP2C9 1423/4885

“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.