SCHEMBL10119925

SCHEMBL10119925

CC(C)c1ccc2c(c1)CCCc1nc(C(C)(C)C)[nH]c1-2

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
PSMB5 P28074 1/20 0.32
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL10119933 0.97 PSMB5 (0.34) KDM4EPSMB5LMNANPSR1
SCHEMBL10119929 0.92 KDM4E (0.33) KDM4EPSMB5LMNANPSR1
SCHEMBL12437143 0.83 PARP10 (0.36) KDM4EALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL10118798 0.83 KDM4E (0.36) KDM4EPSMB5ALDH1A1SMN1; SMN2LMNA
SCHEMBL15746227 0.83 MAPT (0.34)
SCHEMBL10119927 0.81 NPSR1 (0.34) ALDH1A1NPSR1
SCHEMBL10141066 0.81 PARP10 (0.36) KDM4EPSMB5ALDH1A1SMN1; SMN2NPSR1
SCHEMBL10118796 0.81 PSMB5 (0.36) KDM4EPSMB5LMNANPSR1
SCHEMBL19521604 0.80 NPSR1 (0.34) KDM4EPSMB5ALDH1A1SMN1; SMN2LMNA
SCHEMBL10119926 0.78 KLK7 (0.33) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9676802-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2017-06-13 US disclosed
US-8933110-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-01-13 US disclosed
US-20140308243-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2014-10-16 US disclosed
US-20120076755-A1 Hepatitis C Virus Inhibitors ENANTA PHARMACEUTICALS, INC. 2012-03-29 US disclosed
US-20120076755-A1 Hepatitis C Virus Inhibitors ENANTA PHARMACEUTICALS, INC. 2012-03-29 US disclosed
US-20120039848-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2012-02-16 US disclosed
US-20110189129-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-08-04 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-20140308243-A1 HEPATITIS C VIRUS INHIBITORS ZC3HAV1, ZC3HAV1L, HAVCR2 KDM4E 1236/4885PSMB5 1503/4885ALDH1A1 912/4885
US-20120039848-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 KDM4E 1193/4885PSMB5 2027/4885ALDH1A1 365/4885
US-20110189129-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, NSUN2 KDM4E 1321/4885PSMB5 1917/4885ALDH1A1 901/4885
US-20120076755-A1 Hepatitis C Virus Inhibitors NSUN2, HCCS, HAVCR2 KDM4E 1318/4885PSMB5 1860/4885ALDH1A1 984/4885

“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.