SCHEMBL4265342

SCHEMBL4265342

CCOC(=O)c1cc2cc(Br)ccc2n1Cc1ccc(C(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 1/20 0.57
NOD1 Q9Y239 1/20 0.57
PTGS2 P35354 3/20 0.52
F10 P00742 2/20 0.52
MAPT P10636 5/20 0.50
TDP1 Q9NUW8 3/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPK1 P28482 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ALDH1A1 P00352 3/20 0.47
TSHR P16473 2/20 0.47
POLB P06746 2/20 0.47
ATM Q13315 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.46
CCR2 P41597 5/20 0.44
CCR9 P51686 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
SCHEMBL4945148 0.89 NOD2 (0.72) NOD2NOD1PTGS2F10MAPT
SCHEMBL6302592 0.87 NOD2 (0.57) NOD2NOD1PTGS2F10MAPT
SCHEMBL4414074 0.86 NOD2 (0.65) NOD2NOD1PTGS2F10MAPT
SCHEMBL15642607 0.86 NOD2 (0.58) NOD2NOD1PTGS2F10MAPT
SCHEMBL8481856 0.83 NOD2 (0.55) NOD2NOD1PTGS2F10MAPT
SCHEMBL7488350 0.81 LMNA (0.52) NOD2NOD1PTGS2F10KDM4E
SCHEMBL940391 0.80 F10 (0.54) NOD2NOD1PTGS2F10MAPT
SCHEMBL4265351 0.79 MEN1 (0.48) PTGS2MAPTTDP1KDM4EMAPK1
SCHEMBL6300916 0.78 NOD2 (0.57) NOD2NOD1F10MAPTTDP1
SCHEMBL18733433 0.78 TSHR (0.57) NOD2NOD1TDP1KDM4EMAPK1

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
EP-2134683-A2 NOVEL INHIBITORS HEPATITIS C VIRUS REPLICATION Intermune, Inc. (US) 2009-12-23 EP 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 NOD2 688/4885NOD1 700/4885PTGS2 2426/4885

“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.