SCHEMBL482824

SCHEMBL482824

CCc1cc([N+](=O)[O-])cc(Br)c1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.51
POLB P06746 1/20 0.51
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
ALDH1A1 P00352 4/20 0.42
CYP3A4 P08684 1/20 0.42
ESPL1 Q14674 1/20 0.42
MAPT P10636 3/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
PTGS2 P35354 1/20 0.38
LMNA P02545 4/20 0.38
HTR2A P28223 1/20 0.38
GLA P06280 1/20 0.38
TSHR P16473 1/20 0.37

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
SCHEMBL5565950 0.86 ALDH1A1 (0.50) HTTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL17132381 0.79 HTT (0.50) HTTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1612862 0.78 ALDH1A1 (0.43) HTTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL897060 0.78 HTT (0.52) HTTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1530203 0.75 ERN1 (0.55) HTTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1530705 0.75 HTT (0.53) HTTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1684427 0.74 HTT (0.52) HTTPOLBALDH1A1CYP3A4ESPL1
SCHEMBL8429787 0.74 HSD17B10 (0.52) HTTALDH1A1MAPTPTGS2LMNA
SCHEMBL12514797 0.73 CA2 (0.42) HTTALDH1A1MAPTPTGS2LMNA
SCHEMBL20191026 0.72 GRIN2D (0.58) HTTPOLBGRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9637478-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2017-05-02 US disclosed
EP-2411352-B1 ANTIVIRAL COMPOUNDS AND USES THEREOF ABBVIE INC (US) 2017-01-18 EP disclosed
US-20160368905-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF ABBOTT LABORATORIES 2016-12-22 US disclosed
US-9353091-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2016-05-31 US disclosed
US-20150056164-A1 Antiviral Compounds and Uses Thereof ABBVIE INC. (US) 2015-02-26 US disclosed
US-8748443-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2014-06-10 US disclosed
US-20120082646-A1 Antiviral Compounds And Uses Thereof ABBOTT LABORATORIES (US) 2012-04-05 US disclosed
EP-2411352-A2 ANTIVIRAL COMPOUNDS AND USES THEREOF Abbott Laboratories (US) 2012-02-01 EP disclosed
WO-2010111436-A2 ANTIVIRAL COMPOUNDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-09-30 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 (3 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-20150056164-A1 Antiviral Compounds and Uses Thereof MAVS, ZC3HAV1, EIF2AK2 HTT 1918/4885POLB 82/4885GRIN2D 4604/4885
US-20160368905-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF MAVS, ZC3HAV1, EIF2AK2 HTT 1918/4885POLB 82/4885GRIN2D 4604/4885
US-20120082646-A1 Antiviral Compounds And Uses Thereof MAVS, ZC3HAV1, EIF2AK2 HTT 1918/4885POLB 82/4885GRIN2D 4604/4885

“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.