SCHEMBL2372334

SCHEMBL2372334

C#Cc1ccc(F)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
HIF1A Q16665 1/20 0.56
VCAM1 P19320 3/20 0.53
CA1 P00915 1/20 0.45
MMP2 P08253 1/20 0.45
CA14 Q9ULX7 1/20 0.45
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 6/20 0.42
HTT P42858 4/20 0.42
MAPT P10636 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 2/20 0.42
MITF O75030 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
P2RY6 Q15077 1/20 0.40
RECQL P46063 1/20 0.37
ESPL1 Q14674 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
SCHEMBL2426169 0.85 ALDH1A1 (0.60) ALDH1A1HIF1AVCAM1CA1MMP2
SCHEMBL697848 0.83 ALDH1A1 (0.58) ALDH1A1HIF1AVCAM1CA1MMP2
SCHEMBL11689602 0.82 TSHR (0.50) ALDH1A1HIF1AVCAM1CA1CA14
SCHEMBL16958110 0.81 ALDH1A1 (0.56) ALDH1A1HIF1AVCAM1CA1MMP2
SCHEMBL352298 0.81 VCAM1 (0.64) ALDH1A1HIF1AVCAM1CA1MMP2
SCHEMBL9793498 0.79 PTPN11 (0.49) ALDH1A1VCAM1CA1CA14TDP1
SCHEMBL11377708 0.78 MAPK1 (0.56) ALDH1A1HIF1AVCAM1CA1LMNA
SCHEMBL2394881 0.78 MAPT (0.58) ALDH1A1VCAM1TDP1LMNAMAPT
SCHEMBL2683998 0.78 VCAM1 (0.69) VCAM1TDP1
SCHEMBL9937018 0.75 VCAM1 (0.60) ALDH1A1VCAM1TDP1HTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2547665-B1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2018-07-04 EP disclosed
EP-2547665-B1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2018-07-04 EP disclosed
US-20170027173-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, LLC (US) 2017-02-02 US disclosed
US-20170027173-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, LLC (US) 2017-02-02 US disclosed
US-9499524-B2 Insecticidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2016-11-22 US disclosed
US-9499524-B2 Insecticidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2016-11-22 US disclosed
US-20160302414-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2016-10-20 US disclosed
US-20160302414-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2016-10-20 US disclosed
US-9249138-B2 Anti-viral compounds ABBVIE INC. (US) 2016-02-02 US disclosed
US-20140213595-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. (US) 2014-07-31 US disclosed
US-8546405-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2013-10-01 US disclosed
EP-2547665-A1 INSECTICIDAL COMPOUNDS Syngenta Participations AG (CH) 2013-01-23 EP disclosed
US-20130012547-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2013-01-10 US disclosed
US-20130012547-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2013-01-10 US disclosed
EP-2367823-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2011-09-28 EP disclosed
WO-2011113756-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2011-09-22 WO disclosed
WO-2011113756-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2011-09-22 WO disclosed
WO-2010075380-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2010-07-01 WO disclosed
US-20100160355-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-06-24 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 (5 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-20140213595-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885HIF1A 1619/4885VCAM1 931/4885
US-20170027173-A1 INSECTICIDAL COMPOUNDS ACHE, AADAC, CASP3 ALDH1A1 391/4885HIF1A 4690/4885VCAM1 4756/4885
US-20100160355-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885HIF1A 1619/4885VCAM1 931/4885
US-20160302414-A1 INSECTICIDAL COMPOUNDS ACHE, AADAC, CASP3 ALDH1A1 391/4885HIF1A 4690/4885VCAM1 4756/4885
US-20130012547-A1 INSECTICIDAL COMPOUNDS ACHE, AADAC, CYP51A1 ALDH1A1 335/4885HIF1A 4668/4885VCAM1 4768/4885

“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.