SCHEMBL628700

SCHEMBL628700

O=[N+]([O-])c1ccc(CN(Cc2ccc([N+](=O)[O-])cc2)c2ccc(F)c(F)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 3/20 0.48
CRHR2 Q13324 3/20 0.48
ALDH1A1 P00352 3/20 0.45
HIF1A Q16665 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.43
PYCR1 P32322 1/20 0.43
CYP19A1 P11511 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
TLR9 Q9NR96 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CDC25C P30307 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40

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
SCHEMBL17562024 0.84 HTT (0.37) CRHBPCRHR2ALDH1A1CYP1A2
SCHEMBL3737073 0.84 KCNJ1 (0.51) CRHBPCRHR2ALDH1A1LOXL2PYCR1
SCHEMBL8537467 0.77 CRHBP (0.61) CRHBPCRHR2ALDH1A1MEN1KMT2A
SCHEMBL627381 0.77 CRHBP (0.71) CRHBPCRHR2ALDH1A1LOXL2PYCR1
SCHEMBL19921011 0.76 CRHBP (0.49) CRHBPCRHR2ALDH1A1LOXL2PYCR1
SCHEMBL628019 0.75 ALDH1A1 (0.39) ALDH1A1LOXL2L3MBTL1TSHRCYP1A2
SCHEMBL29653149 0.74 KCNH2 (0.55) CRHBPCRHR2ALDH1A1MEN1KMT2A
SCHEMBL85604 0.73 ALDH1A1 (0.69) ALDH1A1HIF1ACYP19A1MEN1KMT2A
SCHEMBL29379039 0.73 ALDH1A1 (0.69) ALDH1A1HIF1ACYP19A1MEN1KMT2A
SCHEMBL28252591 0.73 ALDH1A1 (0.69) ALDH1A1HIF1ACYP19A1MEN1KMT2A

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 8 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
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
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 4740/4885ALDH1A1 2858/4885

“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.