SCHEMBL20546557

SCHEMBL20546557

Cn1ncc(O)c([N+](=O)[O-])c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.37
▸ PKM P14618 2/20 0.36
▸ KAT2B Q92831 1/20 0.35
▸ BRD9 Q9H8M2 1/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ LMNA P02545 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ GPR35 Q9HC97 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ XBP1 P17861 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ PAX8 Q06710 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TLR9 Q9NR96 1/20 0.33
▸ GAA P10253 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
SCHEMBL5103271 0.75 MEN1 (0.43) ATMKDM4EPKMMEN1KMT2A
SCHEMBL27140224 0.70 ESR1 (0.39) PKMMEN1KMT2AMAPTGPR35
SCHEMBL8281635 0.69 MTOR (0.43) KAT2BBRD9MAPTNPSR1HTT
SCHEMBL12160455 0.69 KAT2B (0.56) PKMKAT2BBRD9MAPTNPSR1
SCHEMBL5106132 0.69 KDM4E (0.43) ATMKDM4EPKMMEN1KMT2A
SCHEMBL16652388 0.69 GAA (0.46) ATMKDM4EPKMLMNAMAPT
SCHEMBL20545770 0.68 KDM4E (0.44) ATMKDM4EPKMMEN1KMT2A
SCHEMBL24376373 0.67 KAT2B (0.41) KDM4EKAT2BBRD9LMNAMAPT
SCHEMBL31481303 0.64 ALDH1A1 (0.42) MEN1KMT2AGPR35ALDH1A1
SCHEMBL331783 0.64 GAA (0.59) ATMKDM4EMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-3615514-A2 PROPIONIC ACID DERIVATIVES AND METHODS OF USE THEREOF Aviara Pharmaceuticals, Inc. (US) 2020-03-04 — — EP disclosed
US-20180312523-A1 Propionic Acid Derivatives and Methods of Use Thereof AVIARA PHARMACEUTICALS, INC. (US) 2018-11-01 — — US disclosed
WO-2018201167-A2 PROPIONIC ACID DERIVATIVES AND METHODS OF USE THEREOF AVIARA PHARMACEUTICALS, INC. (US) 2018-11-01 — — 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 (2 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 ATM 4354/4885KDM4E 4039/4885PKM 1098/4885
US-10875875-B2 Propionic acid derivatives and methods of use thereof ITGB3, ITGA1, ITGB5 ATM 4354/4885KDM4E 4039/4885PKM 1098/4885

“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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