SCHEMBL629023

SCHEMBL629023

O=[N+]([O-])c1ccc(CN(Cc2ccc([N+](=O)[O-])cc2)[C@@H]2CCOC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CRHBP P24387 2/20 0.41
CRHR2 Q13324 2/20 0.41
PYCR1 P32322 1/20 0.40
DRD2 P14416 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
KCNH2 Q12809 2/20 0.38
IDO1 P14902 2/20 0.37
HRH3 Q9Y5N1 2/20 0.36
CYP2C19 P33261 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
BACE1 P56817 1/20 0.36

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
SCHEMBL629024 1.00 KCNJ1 (0.43) KCNJ1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL5208812 0.83 ALDH1A1 (0.45) KCNJ1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL627977 0.80 CRHBP (0.46) KCNJ1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL7859419 0.80 ALDH1A1 (0.42) KCNJ1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL313713 0.80 CRHBP (0.48) KCNJ1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL628697 0.77 MAPT (0.34) ALDH1A1LMNAMAPTLOXL2KDM4E
SCHEMBL628696 0.77 MAPT (0.34) ALDH1A1LMNAMAPTLOXL2KDM4E
SCHEMBL14691765 0.77 KDM4E (0.46) ALDH1A1LMNAKDM4ETSHR
SCHEMBL23247228 0.76 NR1D1 (0.45) KCNJ1ALDH1A1LMNAMAPTDRD2
SCHEMBL23247657 0.76 NR1D1 (0.45) KCNJ1ALDH1A1LMNAMAPTDRD2

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 KCNJ1 4044/4885ALDH1A1 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.