SCHEMBL3737073

SCHEMBL3737073

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 1/20 0.51
KCNH2 Q12809 1/20 0.51
MMP1 P03956 2/20 0.51
MMP2 P08253 2/20 0.51
MMP9 P14780 2/20 0.51
MMP8 P22894 2/20 0.51
MMP13 P45452 2/20 0.51
HSPB1 P04792 1/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAOB P27338 2/20 0.49
MAOA P21397 1/20 0.49
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
NPC1 O15118 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
SCHEMBL18600201 0.87 PYCR1 (0.58) KCNJ1KCNH2MMP1MMP2MMP9
SCHEMBL628700 0.84 CRHBP (0.48) MMP1MMP2MMP9MMP8MMP13
SCHEMBL8537467 0.83 CRHBP (0.61) CRHBPCRHR2MEN1KMT2AALDH1A1
SCHEMBL627381 0.83 CRHBP (0.71) CRHBPCRHR2MEN1KMT2AALDH1A1
SCHEMBL19921011 0.82 CRHBP (0.49) KCNH2CRHBPCRHR2MEN1KMT2A
SCHEMBL3731833 0.81 CYP1A2 (0.52) MEN1KMT2AMAOBMAOAALDH1A1
SCHEMBL3153145 0.81 PYCR1 (0.62) KCNJ1KCNH2MMP1MMP2MMP9
SCHEMBL29653149 0.80 KCNH2 (0.55) KCNJ1KCNH2CRHBPCRHR2MEN1
SCHEMBL1644518 0.78 POLB (0.63) KCNJ1KCNH2HSPB1MEN1KMT2A
SCHEMBL536 0.78 HSPB1 (0.75) KCNJ1KCNH2HSPB1MEN1KMT2A

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
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
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 4044/4885KCNH2 4523/4885MMP1 3845/4885

“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.