SCHEMBL7945510

SCHEMBL7945510

COc1ccc2c(O)nc(-c3nc(C(C)C)cs3)cc2c1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.34
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 3/20 0.34
GAA P10253 3/20 0.34
KMT2A Q03164 3/20 0.34
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 1/20 0.34
PLAU P00749 2/20 0.34
MAPK1 P28482 1/20 0.33
RECQL P46063 1/20 0.33
GFER P55789 1/20 0.33
CTSS P25774 1/20 0.33
CYP1A1 P04798 2/20 0.33
CYP1B1 Q16678 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2E1 P05181 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL12730967 0.86 APLNR (0.35) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL13637184 0.85 CYP3A4 (0.39) MAPTALDH1A1MEN1GAAKMT2A
SCHEMBL3427412 0.84 PLAU (0.33) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL3478924 0.84 KDM4E (0.39) MAPTALDH1A1RAB9ASMN1; SMN2PLAU
SCHEMBL3428569 0.84 CYP1A1 (0.31) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL313693 0.83 CTSS (0.38) MAPTALDH1A1MEN1GAAKMT2A
SCHEMBL7944203 0.81 CTSS (0.40) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL883446 0.80 MAPT (0.38) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL1496441 0.80 ALDH1A1 (0.33) MAPTALDH1A1MEN1GAAKMT2A
SCHEMBL13336763 0.79 CTSS (0.37) MAPTALDH1A1MEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-04-07 US disclosed
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-04-07 US disclosed
WO-2011038293-A1 CYCLIC PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-03-31 WO disclosed
WO-2009142842-A9 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2010-11-25 WO disclosed
WO-2010045266-A1 THERAPEUTIC ANTIVIRAL PEPTIDES INTERMUNE, INC. (US) 2010-04-22 WO disclosed
WO-2009142842-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-11-26 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-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, EIF4A2 MAPT 4715/4885ALDH1A1 1769/4885MEN1 4287/4885

“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.