SCHEMBL3246757

SCHEMBL3246757

CCCCN(C)C(=O)c1cc(C(=O)N2Cc3ccc(Br)cc3C2)c(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.40
HSP90B1 P14625 2/20 0.40
TRAP1 Q12931 2/20 0.40
LRRK2 Q5S007 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
PTGER1 P34995 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
SLC6A9 P48067 1/20 0.38
BCL2 P10415 2/20 0.37
BAD Q92934 1/20 0.37
ABCB1 P08183 2/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
TP53 P04637 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
SCHEMBL3243617 0.91 HSP90B1 (0.43) NAMPTHSP90B1TRAP1KDM4ELMNA
SCHEMBL6970081 0.87 TRAP1 (0.47) NAMPTHSP90B1TRAP1KDM4ELMNA
SCHEMBL6969423 0.87 TRAP1 (0.54) NAMPTHSP90B1TRAP1KDM4ELMNA
SCHEMBL6969523 0.87 TRAP1 (0.47) NAMPTHSP90B1TRAP1KDM4ELMNA
SCHEMBL6968726 0.85 TRAP1 (0.46) NAMPTHSP90B1TRAP1KDM4ELMNA
SCHEMBL383835 0.82 SLC6A9 (0.42) LRRK2LMNAPTGER1SLC6A9ABCB1
SCHEMBL3772834 0.81 THRB (0.43) HSP90B1TRAP1KDM4ELMNAMEN1
SCHEMBL3239000 0.81 LTB4R (0.51) KDM4ELMNAPTGER1MEN1KMT2A
SCHEMBL25222101 0.79 HSP90AB1 (0.47) HSP90B1
SCHEMBL31108364 0.79 HSP90AB1 (0.47) HSP90B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2181092-B1 1,3-DIHYDROISOINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2015-01-14 EP disclosed
EP-2181092-B1 1,3-DIHYDROISOINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2015-01-14 EP disclosed
US-8183279-B2 1,3-dihydroisoindole derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-05-22 US disclosed
US-8183279-B2 1,3-dihydroisoindole derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-05-22 US disclosed
US-8183279-B2 1,3-dihydroisoindole derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-05-22 US disclosed
US-20100311745-A1 1,3-DIHYDROISOINDOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-12-09 US disclosed
US-20100311745-A1 1,3-DIHYDROISOINDOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-12-09 US disclosed
US-20100311745-A1 1,3-DIHYDROISOINDOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-12-09 US disclosed
EP-2181092-A1 1,3-DIHYDROISOINDOLE DERIVATIVES Merck Patent GmbH (DE) 2010-05-05 EP disclosed
WO-2009030316-A1 1,3-DIHYDROISOINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2009-03-12 WO disclosed
WO-2009030316-A1 1,3-DIHYDROISOINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2009-03-12 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-20100311745-A1 1,3-DIHYDROISOINDOLE DERIVATIVES HSP90AB1, HSP90AA1, HSP90AB2P NAMPT 3585/4885HSP90B1 4/4885TRAP1 11/4885

“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.