SCHEMBL811162

SCHEMBL811162

Nc1cc(OCc2cc(F)ccc2F)ccc1Sc1ccc(O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 1/20 0.51
SLC6A2 P23975 6/20 0.44
SLC6A4 P31645 6/20 0.44
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
HPGD P15428 2/20 0.42
ALKBH1 Q13686 1/20 0.36
MAOB P27338 2/20 0.36
AGBL2 Q5U5Z8 1/20 0.36
SLC6A3 Q01959 1/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TP53 P04637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PARP10 Q53GL7 2/20 0.34
PARP15 Q460N3 1/20 0.34
PARP14 Q460N5 1/20 0.34

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
SCHEMBL810264 0.88 SLC6A2 (0.43) CACNA1CSLC6A2SLC6A4KDM4EALDH1A1
SCHEMBL810574 0.84 MAOB (0.49) SLC6A2SLC6A4KDM4EALDH1A1MAPT
SCHEMBL810925 0.81 PDE7A (0.51) CACNA1CKDM4EALDH1A1MAPTLMNA
SCHEMBL811689 0.81 MAOB (0.54) MAOBPARP10
SCHEMBL811060 0.80 PARP10 (0.48) SLC6A2SLC6A4KDM4EALDH1A1MAPT
SCHEMBL5069013 0.80 KDM4E (0.45) SLC6A2SLC6A4KDM4EALDH1A1MAPT
SCHEMBL7024313 0.79 CACNA1C (0.53) CACNA1CSLC6A2KDM4EALDH1A1ALKBH1
SCHEMBL810986 0.77 PIM1 (0.52) SLC6A2SLC6A4ALDH1A1MAOBSLC6A3
SCHEMBL810856 0.77 MAOB (0.44) SLC6A2SLC6A4KDM4EALDH1A1MAPT
SCHEMBL2969952 0.77 KDM4E (0.47) SLC6A2SLC6A4KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971611-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-10-10 EP disclosed
US-8236950-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-08-07 US disclosed
EP-2345652-A1 Antiviral compounds Abbott Laboratories (US) 2011-07-20 EP disclosed
US-20110160233-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 US disclosed
US-7915411-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-29 US disclosed
EP-2094276-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2009-09-02 EP disclosed
WO-2008133753-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2008-11-06 WO disclosed
EP-1971611-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-09-24 EP disclosed
US-20070197558-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-08-23 US disclosed
WO-2007081517-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-19 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-20110160233-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 CACNA1C 4713/4885SLC6A2 4033/4885SLC6A4 4037/4885
US-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 CACNA1C 4713/4885SLC6A2 4033/4885SLC6A4 4037/4885

“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.