SCHEMBL10097683

SCHEMBL10097683

CCCCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC(C)C)cc3n2CC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.44
RAB9A P51151 5/20 0.44
LMNA P02545 1/20 0.44
NPC1 O15118 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
FAAH O00519 2/20 0.41
PTGS2 P35354 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
EPHX2 P34913 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
RORC P51449 1/20 0.37
SPHK1 Q9NYA1 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
SCHEMBL10095757 0.96 HPGD (0.41) HPGDRAB9ALMNANPC1SMN1; SMN2
SCHEMBL10095756 0.94 HPGD (0.38) HPGDRAB9ALMNANPC1SMN1; SMN2
SCHEMBL10095759 0.93 SCN2A (0.37) HPGDRAB9ALMNANPC1SMN1; SMN2
SCHEMBL10095752 0.93 PFKFB2 (0.37) HPGDRAB9ALMNANPC1SMN1; SMN2
SCHEMBL10095761 0.93 MAPK1 (0.38) HPGDRAB9ALMNANPC1SMN1; SMN2
SCHEMBL10095755 0.92 MAPK1 (0.42) HPGDLMNANPC1SMN1; SMN2CYP1A2
SCHEMBL10095486 0.92 HPGD (0.45) HPGDRAB9ALMNANPC1SMN1; SMN2
SCHEMBL10095762 0.91 MEN1 (0.41) HPGDRAB9ALMNANPC1SMN1; SMN2
SCHEMBL10095766 0.91 CNR1 (0.38) HPGDLMNANPC1SMN1; SMN2CYP1A2
SCHEMBL12334871 0.91 HPGD (0.45) HPGDRAB9ALMNANPC1SMN1; SMN2

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 8 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-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 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-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus PTC THERAPEUTICS, INC. 2008-04-24 US disclosed
US-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus PTC THERAPEUTICS, INC. 2008-04-24 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-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus EIF2AK2, INMT, IDO1 HPGD 3067/4885RAB9A 3470/4885LMNA 4373/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS HPGD 1033/4885RAB9A 3975/4885LMNA 3101/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP HPGD 1854/4885RAB9A 2969/4885LMNA 4367/4885

“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.