SCHEMBL17870933

SCHEMBL17870933

C=Cc1cccc(N=[N+]=[N-])c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ RAD51 Q06609 1/20 0.35
▸ PDE4A P27815 2/20 0.35
▸ NOX1 Q9Y5S8 2/20 0.34
▸ SIGMAR1 Q99720 2/20 0.34
▸ CYP1A2 P05177 2/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ CYP1A1 P04798 1/20 0.33
▸ CYP1B1 Q16678 1/20 0.33
▸ CA1 P00915 3/20 0.32
▸ CA2 P00918 3/20 0.32
▸ CA9 Q16790 3/20 0.32
▸ CA4 P22748 1/20 0.32
▸ CA7 P43166 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA5A P35218 1/20 0.32
▸ CA5B Q9Y2D0 1/20 0.32

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
SCHEMBL31087411 0.81 NFE2L2 (0.41) RAD51
SCHEMBL25398414 0.81 NFE2L2 (0.41) RAD51
SCHEMBL16290051 0.81 ALDH1A1 (0.44) TP53ALDH1A1RAD51PDE4ANOX1
SCHEMBL29203313 0.79 RAD51 (0.34) TP53RAD51PDE4ANOX1SIGMAR1
SCHEMBL16748956 0.79 SIGMAR1 (0.44) TP53RAD51PDE4ANOX1SIGMAR1
SCHEMBL14340571 0.75 ALDH1A1 (0.50) TP53TDP1ALDH1A1TSHRRAD51
SCHEMBL27925994 0.74 PDE4A (0.34) RAD51PDE4ANOX1SIGMAR1CYP1A2
SCHEMBL10955309 0.74 TDP1 (0.48) TP53TDP1ALDH1A1TSHRCYP1A2
SCHEMBL16341829 0.74 PDE4A (0.37) TP53RAD51PDE4ANOX1SIGMAR1
SCHEMBL28332034 0.73 L3MBTL1 (0.42) ALDH1A1NOX1SIGMAR1CYP1A2CA1

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-11478438-B2 Necrosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2022-10-25 — — US disclosed
CN-107108492-B Cell necrosis inhibitor 北京生命科学研究所 2021-03-19 — — CN disclosed
US-20200182617-A1 Necrosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2020-06-11 — — US disclosed
US-10555920-B2 Necrosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2020-02-11 — — US disclosed
US-20190038578-A1 Necrosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2019-02-07 — — US disclosed
US-10092529-B2 Necrosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2018-10-09 — — US disclosed
EP-3224245-B1 NECROSIS INHIBITORS NAT INSTITUTE OF BIOLOGICAL SCIENCES BEIJING (CN) 2018-09-12 — — EP disclosed
US-20170304237-A1 Necrosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2017-10-26 — — US disclosed
EP-3224245-A1 NECROSIS INHIBITORS National Institute Of Biological Sciences, Beijing (CN) 2017-10-04 — — EP disclosed
WO-2016101887-A1 NECROSIS INHIBITORS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2016-06-30 — — 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 (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-20170304237-A1 Necrosis Inhibitors RIPK3, RIPK1, RIPK4 TP53 1209/4885TDP1 943/4885ALDH1A1 3900/4885
US-11478438-B2 Necrosis inhibitors RIPK3, RIPK1, RIPK4 TP53 498/4885TDP1 984/4885ALDH1A1 4104/4885
US-20190038578-A1 Necrosis Inhibitors RIPK3, RIPK1, RIPK4 TP53 498/4885TDP1 984/4885ALDH1A1 4104/4885
US-10092529-B2 Necrosis inhibitors RIPK3, RIPK1, RIPK4 TP53 1209/4885TDP1 943/4885ALDH1A1 3900/4885
US-10555920-B2 Necrosis inhibitors RIPK3, RIPK1, RIPK4 TP53 498/4885TDP1 984/4885ALDH1A1 4104/4885

“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.

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