SCHEMBL811449

SCHEMBL811449

CCCc1ccc(C#N)c(/N=C\N(C)C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
MAPT P10636 3/20 0.40
MBOAT4 Q96T53 1/20 0.39
ALDH1A1 P00352 8/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
KDM4E B2RXH2 6/20 0.37
HTT P42858 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
HSD17B10 Q99714 5/20 0.36
LMNA P02545 4/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MAPK1 P28482 2/20 0.34
GLA P06280 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
SCHEMBL811450 1.00 GAA (0.40) GAAMAPTMBOAT4ALDH1A1SMN1; SMN2
SCHEMBL810637 0.90 GAA (0.43) GAAMAPTMBOAT4ALDH1A1SMN1; SMN2
SCHEMBL810636 0.90 GAA (0.43) GAAMAPTMBOAT4ALDH1A1SMN1; SMN2
SCHEMBL811197 0.78 GAA (0.45) GAAMAPTMBOAT4ALDH1A1SMN1; SMN2
SCHEMBL811198 0.78 GAA (0.45) GAAMAPTMBOAT4ALDH1A1SMN1; SMN2
SCHEMBL811483 0.77 ALDH1A1 (0.38) GAAMAPTMBOAT4ALDH1A1SMN1; SMN2
SCHEMBL811482 0.77 ALDH1A1 (0.38) GAAMAPTMBOAT4ALDH1A1SMN1; SMN2
SCHEMBL810193 0.76 GAA (0.39) GAAMAPTMBOAT4ALDH1A1SMN1; SMN2
SCHEMBL810192 0.76 GAA (0.39) GAAMAPTMBOAT4ALDH1A1SMN1; SMN2
SCHEMBL811210 0.74 GAA (0.42) GAAMAPTMBOAT4ALDH1A1SMN1; SMN2

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 6 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
EP-2345652-A1 Antiviral compounds Abbott Laboratories (US) 2011-07-20 EP disclosed
US-7915411-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-29 US 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 (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-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 GAA 504/4885MAPT 1347/4885MBOAT4 2954/4885

“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.