SCHEMBL8174752

SCHEMBL8174752

CN(c1ccc(Cn2cc(CC(=O)O)c3ccccc32)cc1)c1ccc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.52
ALDH1A1 P00352 2/20 0.50
LMNA P02545 1/20 0.50
ICMT O60725 4/20 0.44
HDAC1 Q13547 3/20 0.43
HDAC8 Q9BY41 3/20 0.43
HDAC6 Q9UBN7 3/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC2 Q92769 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
GAA P10253 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL8174449 0.93 HTR6 (0.52) HTR6ALDH1A1LMNAICMTHDAC1
SCHEMBL8178979 0.91 LMNA (0.53) HTR6ALDH1A1LMNAICMTPTGDR2
SCHEMBL8175107 0.90 ALDH1A1 (0.52) HTR6ALDH1A1LMNAICMTHDAC1
SCHEMBL8178374 0.89 HTR6 (0.62) HTR6ALDH1A1LMNAICMTHDAC1
SCHEMBL8171674 0.86 LMNA (0.58) HTR6ALDH1A1LMNAICMTHDAC1
SCHEMBL8174024 0.86 ALDH1A1 (0.57) HTR6ALDH1A1LMNAICMTHDAC1
SCHEMBL8174714 0.84 LMNA (0.53) HTR6ALDH1A1LMNAICMTPTGDR2
SCHEMBL8180745 0.83 LMNA (0.59) HTR6ALDH1A1LMNAICMTPTGDR2
SCHEMBL8174653 0.82 LMNA (0.57) HTR6ALDH1A1LMNAICMTSMN1; SMN2
SCHEMBL8177968 0.81 ALDH1A1 (0.53) HTR6ALDH1A1LMNAICMTHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090047246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-02-19 US disclosed
US-20090047246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-02-19 US disclosed
WO-2008100867-A2 NOVEL INHIBITORS HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2008-08-21 WO 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 (1 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-20090047246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HCCS HTR6 3506/4885ALDH1A1 1836/4885LMNA 2969/4885

“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.