SCHEMBL627460

SCHEMBL627460

COc1ccc(CN(Cc2ccc(OC)c([N+](=O)[O-])c2)c2ccc(F)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.57
ALDH1A1 P00352 15/20 0.47
LMNA P02545 3/20 0.47
HTT P42858 2/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
TDP1 Q9NUW8 1/20 0.44
GFER P55789 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL6877927 0.83 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1LMNAHTTGAA
SCHEMBL4512978 0.79 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1LMNAHTTGAA
SCHEMBL232059 0.77 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1TDP1
SCHEMBL628027 0.77 GAA (0.54) ALDH1A1GAAKMT2AMEN1
SCHEMBL97957 0.76 SMN1; SMN2 (0.66) SMN1; SMN2ALDH1A1LMNAHTTGAA
SCHEMBL31090163 0.76 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1LMNAHTTGAA
SCHEMBL16233087 0.76 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1LMNAHTTGAA
SCHEMBL8297975 0.74 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1LMNAHTTGAA
SCHEMBL28712446 0.74 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1LMNAHTTGAA
SCHEMBL3731833 0.74 CYP1A2 (0.52) SMN1; SMN2ALDH1A1LMNAHTTGAA

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
US-9278922-B2 Anti-viral compounds ABBVIE INC. (US) 2016-03-08 US disclosed
US-9278922-B2 Anti-viral compounds ABBVIE INC. (US) 2016-03-08 US disclosed
US-9278922-B2 Anti-viral compounds ABBVIE INC. (US) 2016-03-08 US disclosed
EP-2419404-B1 ANTI-VIRAL COMPOUNDS ABBVIE INC (US) 2015-11-04 EP disclosed
EP-2419404-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2012-02-22 EP disclosed
WO-2010120935-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2010-10-21 WO disclosed
WO-2010120935-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2010-10-21 WO disclosed
US-20100267634-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-10-21 US disclosed
US-20100267634-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-10-21 US disclosed
US-20100267634-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-10-21 US 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-20100267634-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS SMN1; SMN2 4141/4885ALDH1A1 2858/4885LMNA 3118/4885

“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.