SCHEMBL16934833

SCHEMBL16934833

[N-]=[N+]=Nc1c(F)cc(C=O)cc1F

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL22452266 0.89
SCHEMBL28948573 0.76
SCHEMBL22605026 0.76 SRC (0.42) ALDH1A1
SCHEMBL22604964 0.76 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2
SCHEMBL26623594 0.75 HCAR2 (0.39) ALDH1A1SMN1; SMN2
SCHEMBL22452189 0.72 PDE2A (0.30)
SCHEMBL19415108 0.72
SCHEMBL16934832 0.72
SCHEMBL28057799 0.72 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2
SCHEMBL16934824 0.71 LMNA (0.39) ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119409738-A Hydrogen sulfide responsive carbon monoxide donor molecule, and preparation method and application thereof 中国科学技术大学 2025-02-11 CN disclosed
US-20220048920-A1 PROCESS FOR THE CYCLOADDITION OF A (HETERO)ARYL 1,3-DIPOLE COMPOUND WITH A (HETERO)CYCLOALKYNE SYNAFFIX B.V. (NL) 2022-02-17 US disclosed
EP-3925951-A1 PROCESS FOR THE CYCLOADDITION OF A(HETERO)ARYL 1,3-DIPOLE COMPOUND WITH A (HETERO)CYCLOALKYNE SynAffix B.V. (NL) 2021-12-22 EP disclosed
US-11168085-B2 Process for the cycloaddition of a hetero(aryl) 1,3-dipole compound with a (hetero)cycloalkyne SYNAFFIX B.V. (NL) 2021-11-09 US disclosed
EP-3097079-B1 PROCESS FOR THE CYCLOADDITION OF A HETERO(ARYL) 1,3-DIPOLE COMPOUND WITH A (HETERO)CYCLOALKYNE SYNAFFIX BV (NL) 2021-05-12 EP disclosed
US-20200340982-A1 PHOTOAFFINITY PROBES PROMEGA CORPORATION 2020-10-29 US disclosed
WO-2020191339-A1 PHOTOAFFINITY PROBES PROMEGA CORPORATION (US) 2020-09-24 WO disclosed
US-10266502-B2 Process for the cycloaddition of a halogenated 1,3-dipole compound with a (hetero)cycloalkyne SYNAFFIX B.V. (NL) 2019-04-23 US disclosed
US-20170009266-A1 PROCESS FOR THE ATTACHMENT OF A GALNAC MOIETY COMPRISING A (HETERO)ARYL GROUP TO A GLCNAC MOIETY, AND PRODUCT OBTAINED THEREBY SYNAFFIX B.V. (NL) 2017-01-12 US disclosed
US-20170008858-A1 PROCESS FOR THE CYCLOADDITION OF A HALOGENATED 1,3-DIPOLE COMPOUND WITH A (HETERO)CYCLOALKYNE SYNAFFIX B.V. (NL) 2017-01-12 US disclosed
US-20170002012-A1 PROCESS FOR THE CYCLOADDITION OF A HETERO(ARYL) 1,3-DIPOLE COMPOUND WITH A (HETERO)CYCLOALKYNE SYNAFFIX B.V. (NL) 2017-01-05 US disclosed
EP-3097200-A1 PROCESS FOR THE ATTACHMENT OF A GALNAC MOIETY COMPRISING A (HETERO)ARYL GROUP TO A GLCNAC MOIETY, AND PRODUCT OBTAINED THEREBY SynAffix B.V. (NL) 2016-11-30 EP disclosed
EP-3097080-A1 PROCESS FOR THE CYCLOADDITION OF A HALOGENATED 1,3-DIPOLE COMPOUND WITH A (HETERO)CYCLOALKYNE SynAffix B.V. (NL) 2016-11-30 EP disclosed
EP-3097079-A1 PROCESS FOR THE CYCLOADDITION OF A HETERO(ARYL) 1,3-DIPOLE COMPOUND WITH A (HETERO)CYCLOALKYNE SynAffix B.V. (NL) 2016-11-30 EP disclosed
WO-2015112013-A1 PROCESS FOR THE ATTACHMENT OF A GALNAC MOIETY COMPRISING A (HETERO)ARYL GROUP TO A GLCNAC MOIETY, AND PRODUCT OBTAINED THEREBY SYNAFFIX B.V. (NL) 2015-07-30 WO disclosed
WO-2015112014-A1 PROCESS FOR THE CYCLOADDITION OF A HETERO(ARYL) 1,3-DIPOLE COMPOUND WITH A (HETERO)CYCLOALKYNE STICHTING KATHOLIEKE UNIVERSITEIT (NL) 2015-07-30 WO disclosed
WO-2015112016-A1 PROCESS FOR THE CYCLOADDITION OF A HALOGENATED 1,3-DIPOLE COMPOUND WITH A (HETERO)CYCLOALKYNE SYNAFFIX B.V. (NL) 2015-07-30 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 (6 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-10266502-B2 Process for the cycloaddition of a halogenated 1,3-dipole compound with a (hetero)cycloalkyne FUT5, FUT6, B3GNT2 ALDH1A1 576/4885SMN1; SMN2 3364/4885
US-20220048920-A1 PROCESS FOR THE CYCLOADDITION OF A (HETERO)ARYL 1,3-DIPOLE COMPOUND WITH A (HETERO)CYCLOALKYNE AHR, CYP1B1, NAT1 ALDH1A1 333/4885SMN1; SMN2 4481/4885
US-20170009266-A1 PROCESS FOR THE ATTACHMENT OF A GALNAC MOIETY COMPRISING A (HETERO)ARYL GROUP TO A GLCNAC MOIETY, AND PRODUCT OBTAINED THEREBY GALNT2, GALNT3, GALNT1 ALDH1A1 448/4885SMN1; SMN2 4521/4885
US-20170002012-A1 PROCESS FOR THE CYCLOADDITION OF A HETERO(ARYL) 1,3-DIPOLE COMPOUND WITH A (HETERO)CYCLOALKYNE AHR, CYP1B1, NAT1 ALDH1A1 362/4885SMN1; SMN2 4474/4885
US-20170008858-A1 PROCESS FOR THE CYCLOADDITION OF A HALOGENATED 1,3-DIPOLE COMPOUND WITH A (HETERO)CYCLOALKYNE FUT5, FUT6, B3GNT2 ALDH1A1 576/4885SMN1; SMN2 3364/4885
US-11168085-B2 Process for the cycloaddition of a hetero(aryl) 1,3-dipole compound with a (hetero)cycloalkyne AHR, CYP1B1, NAT1 ALDH1A1 362/4885SMN1; SMN2 4474/4885

“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.