SCHEMBL628654

SCHEMBL628654

O=[N+]([O-])c1ccc(CN(Cc2ccc([N+](=O)[O-])cc2)c2nccs2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 1/20 0.47
SCN2A Q99250 1/20 0.47
SCN3A Q9NY46 1/20 0.47
POLB P06746 2/20 0.44
MAPT P10636 4/20 0.44
LMNA P02545 3/20 0.44
NPC1 O15118 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 3/20 0.43
MGAM O43451 2/20 0.43
SI P14410 2/20 0.43
MGAM2 Q2M2H8 2/20 0.43
CRHBP P24387 2/20 0.42
CRHR2 Q13324 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 2/20 0.42
STAT1 P42224 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL3886947 0.77 MEN1 (0.50) POLBMAPTLMNANPC1KDM4E
SCHEMBL25258412 0.74 LMNA (0.48) POLBMAPTLMNANPC1KDM4E
SCHEMBL4836534 0.74 POLB (0.56) POLBMAPTLMNANPC1KDM4E
SCHEMBL4834387 0.73 TSHR (0.49) POLBMAPTLMNANPC1KDM4E
SCHEMBL3072972 0.71 PDPK1 (0.53) POLBMAPTLMNANPC1KDM4E
SCHEMBL15392240 0.69 LOXL2 (0.59) POLBCRHBPCRHR2ALDH1A1PYCR1
SCHEMBL8361063 0.69 CA12 (0.48) POLBMAPTLMNANPC1KDM4E
SCHEMBL14943964 0.69 POLB (0.50) POLBMAPTLMNANPC1KDM4E
SCHEMBL627381 0.68 CRHBP (0.71) MAPTLMNANPC1KDM4ECRHBP
SCHEMBL31695404 0.68 HTT (0.51) POLBMAPTLMNANPC1KDM4E

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 SCN1A 4706/4885SCN2A 4569/4885SCN3A 4568/4885

“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.