SCHEMBL16572029

SCHEMBL16572029

N#Cc1cccc(/C(N)=N\O)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.49
▸ KDM1A O60341 7/20 0.45
▸ GRIN2D O15399 2/20 0.45
▸ GRIN3B O60391 2/20 0.45
▸ GRIN1 Q05586 2/20 0.45
▸ GRIN2A Q12879 2/20 0.45
▸ GRIN2B Q13224 2/20 0.45
▸ GRIN2C Q14957 2/20 0.45
▸ GRIN3A Q8TCU5 2/20 0.45
▸ ENPP2 Q13822 1/20 0.43
▸ FLT3 P36888 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ CLK4 Q9HAZ1 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ VNN1 O95497 1/20 0.40
▸ IRAK4 Q9NWZ3 1/20 0.40
▸ PRSS1 P07477 1/20 0.40
▸ ACR P10323 1/20 0.40
▸ GRM5 P41594 1/20 0.39

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
SCHEMBL1421298 1.00 GSK3B (0.49) GSK3BKDM1AGRIN2DGRIN3BGRIN1
SCHEMBL1421297 1.00 GSK3B (0.49) GSK3BKDM1AGRIN2DGRIN3BGRIN1
SCHEMBL28526332 0.87 PARP1 (0.45) GSK3BKDM1AGRIN2DGRIN3BGRIN1
SCHEMBL28526334 0.87 PARP1 (0.45) GSK3BKDM1AGRIN2DGRIN3BGRIN1
SCHEMBL1305251 0.85 GSK3B (0.49) GSK3BGRIN2DGRIN3BGRIN1GRIN2A
Benzamidoxime SCHEMBL3715593 0.85 POLB (0.57) KDM1AGRIN1GRIN2BTSHRPOLB
Benzamidoxime SCHEMBL3715592 0.85 POLB (0.57) KDM1AGRIN1GRIN2BTSHRPOLB
SCHEMBL1160894 0.78 NOS3 (0.50) GSK3BKDM1APOLB
SCHEMBL4947766 0.78 NOS3 (0.50) GSK3BKDM1APOLB
SCHEMBL10761499 0.78 GSK3B (0.53) GSK3BGRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017004964-A1 PREPARATION METHOD OF 3-[5-(2-FLUOROPHENYL)-1,2,4-OXADIAZOL-3-YL]BENZOIC ACID 上海适济生物科技有限公司 2017-01-12 — — WO disclosed
US-9481658-B2 Optical film, retardation plate, elliptica polarizing plate, liquid crystal display device and compound FUJIFILM CORPORATION (JP) 2016-11-01 — — US disclosed
US-20150080582-A1 OPTICAL FILM, RETARDATION PLATE, ELLIPTICA POLARIZING PLATE, LIQUID CRYSTAL DISPLAY DEVICE AND COMPOUND FUJIFILM CORPORATION (JP) 2015-03-19 — — US disclosed
US-8981108-B2 Optical film, retardation plate, elliptica polarizing plate, liquid crystal display device and compound FUJIFILM CORPORATION (JP) 2015-03-17 — — 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-20150080582-A1 OPTICAL FILM, RETARDATION PLATE, ELLIPTICA POLARIZING PLATE, LIQUID CRYSTAL DISPLAY DEVICE AND COMPOUND PYM1, CCND2, CCNB2 GSK3B 585/4885KDM1A 2809/4885GRIN2D 703/4885

“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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