SCHEMBL810127

SCHEMBL810127

CC(C)c1ccc(C#N)c(Br)n1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.33
POLB P06746 2/20 0.33
ALDH1A1 P00352 4/20 0.32
MAPK1 P28482 2/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD11B1 P28845 1/20 0.31
MAOA P21397 2/20 0.31
MAOB P27338 2/20 0.31
IMPDH2 P12268 1/20 0.31
IMPDH1 P20839 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
AR P10275 2/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL12775196 0.78 KDM5A (0.36) L3MBTL1POLBALDH1A1MAPK1MAPT
SCHEMBL31042314 0.77 MAOB (0.34) L3MBTL1ALDH1A1MAPK1KDM4EMAOA
SCHEMBL8778817 0.77 MAOB (0.34) L3MBTL1ALDH1A1MAPK1KDM4EMAOA
SCHEMBL531211 0.77 MAPK1 (0.33) L3MBTL1POLBALDH1A1MAPK1MAPT
SCHEMBL5857653 0.77 TRPV4 (0.33) L3MBTL1POLBALDH1A1MAPK1MAPT
SCHEMBL30283054 0.77 ALDH1A1 (0.45) L3MBTL1POLBALDH1A1MAPK1HPGD
SCHEMBL4760466 0.77 ALDH1A1 (0.45) L3MBTL1POLBALDH1A1MAPK1HPGD
SCHEMBL810776 0.77 KDM4E (0.41) ALDH1A1MAPTHPGDKDM4ENPC1
SCHEMBL4077754 0.74 KDM4E (0.51) L3MBTL1POLBALDH1A1MAPK1MAPT
SCHEMBL20892175 0.74 AR (0.37) L3MBTL1POLBALDH1A1MAPK1MAPT

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 13 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-1979348-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-01-18 EP 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
US-7910595-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-22 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-20070232627-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US 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 (3 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 L3MBTL1 2884/4885POLB 442/4885ALDH1A1 2723/4885
US-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 L3MBTL1 2884/4885POLB 442/4885ALDH1A1 2723/4885
US-20070232627-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 L3MBTL1 2884/4885POLB 442/4885ALDH1A1 2723/4885

“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.