SCHEMBL20545386

SCHEMBL20545386

Cc1cn(C)c(=O)c([N+](=O)[O-])c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 3/20 0.38
HTT P42858 3/20 0.38
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GPR35 Q9HC97 3/20 0.36
MCL1 Q07820 1/20 0.35
TSHR P16473 1/20 0.34
S100A4 P26447 1/20 0.34

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
SCHEMBL20546590 0.78 ALDH1A1 (0.41) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL15067937 0.71 GRIN2D (0.43) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL27600495 0.70 ALDH1A1 (0.50) KDM4EKMT2AMEN1ALDH1A1TDP1
SCHEMBL16652388 0.69 GAA (0.46) KDM4EALDH1A1TDP1LMNAHTT
SCHEMBL11445281 0.69 MAPT (0.47) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8486843 0.69 PTGER3 (0.44) KMT2AMEN1ALDH1A1LMNAHTT
SCHEMBL9559517 0.69 ALDH1A1 (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29872530 0.69 ALDH1A1 (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3160763 0.67 MAPT (0.68) KDM4EKMT2AMEN1ALDH1A1LMNA
SCHEMBL30099697 0.67 MAPT (0.68) KDM4EKMT2AMEN1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3615515-B1 PROPIONIC ACID DERIVATIVES AND METHODS OF USE THEREOF AVIARA PHARMACEUTICALS INC (US) 2024-09-25 EP disclosed
EP-3615514-B1 PROPIONIC ACID DERIVATIVES AND METHODS OF USE THEREOF AVIARA PHARMACEUTICALS INC (US) 2023-11-22 EP disclosed
CN-110914242-B Propionic acid derivatives and methods of use thereof 阿维亚拉药品有限公司 2023-07-25 CN disclosed
US-10875875-B2 Propionic acid derivatives and methods of use thereof AVIARA PHARMACEUTICALS, INC. (US) 2020-12-29 US disclosed
CN-110914242-A Propionic acid derivatives and methods of use thereof 阿维亚拉药品有限公司 2020-03-24 CN disclosed
US-20190225602-A1 Propionic Acid Derivatives and Methods of Use Thereof AVIARA PHARMACEUTICALS, INC. (US) 2019-07-25 US disclosed
US-10246451-B2 Propionic acid derivatives and methods of use thereof AVIARA PHARMACEUTICALS, INC. (US) 2019-04-02 US disclosed
US-20180312498-A1 Propionic Acid Derivatives and Methods of Use Thereof AVIARA PHARMACEUTICALS, INC. (US) 2018-11-01 US disclosed
US-20180312523-A1 Propionic Acid Derivatives and Methods of Use Thereof AVIARA PHARMACEUTICALS, INC. (US) 2018-11-01 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-20180312523-A1 Propionic Acid Derivatives and Methods of Use Thereof ITGB3, ITGA1, ITGB5 KDM4E 4039/4885GRIN2D 416/4885GRIN3B 213/4885
US-10246451-B2 Propionic acid derivatives and methods of use thereof ITGA4, ITGB3, ITGB5 KDM4E 2453/4885GRIN2D 270/4885GRIN3B 184/4885
US-20190225602-A1 Propionic Acid Derivatives and Methods of Use Thereof ITGA4, ITGB3, ITGB4 KDM4E 2628/4885GRIN2D 265/4885GRIN3B 185/4885
US-10875875-B2 Propionic acid derivatives and methods of use thereof ITGB3, ITGA1, ITGB5 KDM4E 4039/4885GRIN2D 416/4885GRIN3B 213/4885
US-20180312498-A1 Propionic Acid Derivatives and Methods of Use Thereof ITGA4, ITGB3, ITGB5 KDM4E 2453/4885GRIN2D 270/4885GRIN3B 184/4885

“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.