SCHEMBL3501451

SCHEMBL3501451

C=CCn1cc(C)c2c3ccccc3nc(O)c21

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.40
PDE4D Q08499 2/20 0.40
ALDH1A1 P00352 4/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPT P10636 5/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
GAA P10253 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
LMNA P02545 2/20 0.35
RAB9A P51151 1/20 0.34
MIF P14174 1/20 0.34
MAPK1 P28482 1/20 0.34
ESR1 P03372 1/20 0.34
HTT P42858 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
SCHEMBL20310053 0.88 LMNA (0.36) PDE4BPDE4DALDH1A1HPGDHSD17B10
SCHEMBL20309994 0.82 ADORA3 (0.41) PDE4BPDE4DALDH1A1HPGDHSD17B10
SCHEMBL3643400 0.73 SLC2A1 (0.41) PDE4BPDE4DALDH1A1HPGDHSD17B10
SCHEMBL15397447 0.71 CHEK2 (0.33) ALDH1A1HPGDMAPTKMT2AMEN1
SCHEMBL1072610 0.71 PTGER4 (0.31) KMT2AMEN1
SCHEMBL15397455 0.71 AGTR2 (0.31) ALDH1A1KMT2AMEN1
SCHEMBL12963617 0.70 KDM4E (0.30) PDE4BPDE4DHPGDMAPTKMT2A
SCHEMBL663630 0.68 KMT2A (0.51) PDE4BPDE4DALDH1A1HPGDMAPT
SCHEMBL14967518 0.61 MAPT (0.40) PDE4BPDE4DALDH1A1HPGDMAPT
SCHEMBL2731836 0.61 TDP1 (0.62) ALDH1A1HPGDMAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2268285-B1 THERAPEUTIC COMPOUNDS MERCK SHARP & DOHME (US) 2018-06-27 EP disclosed
US-8927569-B2 Macrocyclic compounds as antiviral agents MERCK SHARP & DOHME CORP. (US) 2015-01-06 US disclosed
EP-2178902-B1 MACROCYCLIC COMPOUNDS AS ANTIVIRAL AGENTS ANGELETTI P IST RICHERCHE BIO (IT) 2012-11-28 EP disclosed
US-20110002884-A1 THERAPEUTIC COMPOUNDS MERCK SHARP & DOHME LLC 2011-01-06 US disclosed
US-20110002884-A1 THERAPEUTIC COMPOUNDS MERCK SHARP & DOHME LLC 2011-01-06 US disclosed
US-20100183551-A1 Macrocyclic Compounds As Antiviral Agents MERCK SHARP & DOHME LLC 2010-07-22 US disclosed
WO-2009108507-A1 THERAPEUTIC COMPOUNDS MERCK & CO., INC. (US) 2009-09-03 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 (2 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-20100183551-A1 Macrocyclic Compounds As Antiviral Agents ZC3HAV1, RNASE1, RRP1B PDE4B 3917/4885PDE4D 3939/4885ALDH1A1 1764/4885
US-20110002884-A1 THERAPEUTIC COMPOUNDS RRP1B, ZC3HAV1, RNASE1 PDE4B 3086/4885PDE4D 3726/4885ALDH1A1 1039/4885

“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.