SCHEMBL629033

SCHEMBL629033

CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 2/20 0.59
CRHR2 Q13324 2/20 0.59
KCNH2 Q12809 1/20 0.56
MAPK1 P28482 1/20 0.52
PYCR1 P32322 1/20 0.51
ALDH1A1 P00352 2/20 0.51
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TSHR P16473 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.48
CYP2C19 P33261 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
MAOB P27338 1/20 0.48
MMP1 P03956 2/20 0.47
MMP2 P08253 2/20 0.47
MMP9 P14780 2/20 0.47
MMP8 P22894 2/20 0.47

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
SCHEMBL28042132 0.92 CRHBP (0.55) CRHBPCRHR2KCNH2MAPK1PYCR1
SCHEMBL16682369 0.89 KCNH2 (0.67) CRHBPCRHR2KCNH2PYCR1ALDH1A1
SCHEMBL28042332 0.86 MAPT (0.52) CRHBPCRHR2KCNH2PYCR1ALDH1A1
SCHEMBL28042128 0.86 ALDH1A1 (0.52) CRHBPCRHR2KCNH2MAPK1PYCR1
SCHEMBL11542075 0.85 CRHBP (0.68) CRHBPCRHR2PYCR1ALDH1A1LMNA
SCHEMBL19760403 0.84 CRHBP (0.55) CRHBPCRHR2KCNH2MAPK1PYCR1
SCHEMBL28042131 0.84 KCNH2 (0.60) CRHBPCRHR2KCNH2ALDH1A1MC4R
SCHEMBL1802673 0.83 CRHBP (0.60) CRHBPCRHR2KCNH2PYCR1ALDH1A1
SCHEMBL27447147 0.83 CRHBP (0.50) CRHBPCRHR2KCNH2MAPK1PYCR1
SCHEMBL4810294 0.79 CRHBP (0.61) CRHBPCRHR2KCNH2PYCR1ALDH1A1

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 CRHBP 3168/4885CRHR2 4740/4885KCNH2 4523/4885

“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.