SCHEMBL1455342

SCHEMBL1455342

CC(C)c1ccc(C#N)c(/N=C\N(C)C)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
MAPT P10636 6/20 0.41
ALDH1A1 P00352 9/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 6/20 0.36
HTT P42858 3/20 0.36
LMNA P02545 3/20 0.36
HSD17B10 Q99714 3/20 0.36
ALOX15 P16050 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
GLA P06280 2/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MBOAT4 Q96T53 1/20 0.35
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 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
SCHEMBL2426330 1.00 GAA (0.42) GAAMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL810416 1.00 GAA (0.42) GAAMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL810193 0.86 GAA (0.39) GAAMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL810192 0.86 GAA (0.39) GAAMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL811198 0.80 GAA (0.45) GAAMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL811197 0.80 GAA (0.45) GAAMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL810637 0.78 GAA (0.43) GAAMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL810636 0.78 GAA (0.43) GAAMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL811210 0.77 GAA (0.42) GAAMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL811211 0.77 GAA (0.42) GAAMAPTALDH1A1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2367824-B1 Anti-viral derivatives of pyrimidine ABBVIE INC (US) 2016-03-23 EP disclosed
US-9163017-B2 Anti-viral compounds ABBVIE INC. (US) 2015-10-20 US disclosed
US-8546405-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2013-10-01 US disclosed
US-8541424-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2013-09-24 US 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-2367823-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2011-09-28 EP disclosed
EP-2367824-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2011-09-28 EP disclosed
US-20110160233-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 US disclosed
US-7910595-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-22 US disclosed
WO-2010075376-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2010-07-01 WO disclosed
WO-2010075380-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2010-07-01 WO disclosed
US-20100168138-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-07-01 US disclosed
US-20100160355-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-06-24 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-1979348-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
US-20070232627-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US disclosed
WO-2007076034-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 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 (4 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 GAA 504/4885MAPT 1347/4885ALDH1A1 2723/4885
US-20100168138-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS GAA 223/4885MAPT 2833/4885ALDH1A1 2858/4885
US-20100160355-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS GAA 223/4885MAPT 2833/4885ALDH1A1 2858/4885
US-20070232627-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 GAA 504/4885MAPT 1347/4885ALDH1A1 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.