SCHEMBL20546213

SCHEMBL20546213

Cn1c2c(c(O)c([N+](=O)[O-])c1=O)CCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.47
▸ POLB P06746 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ TSHR P16473 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ LMNA P02545 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ SMN1; SMN2 Q16637 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
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TLR9 Q9NR96 1/20 0.33
▸ MAPK1 P28482 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ GRIN2D O15399 1/20 0.32
▸ GRIN3B O60391 1/20 0.32
▸ GRIN1 Q05586 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
SCHEMBL31514430 0.71 TSHR (0.45) KDM4EPOLBKMT2ATSHRRXFP1
SCHEMBL20681024 0.68 GRIN2D (0.37) KDM4EPOLBKMT2AALDH1A1LMNA
SCHEMBL31514466 0.68 USP2 (0.48) KDM4EPOLBKMT2ATSHRALDH1A1
SCHEMBL11445281 0.65 MAPT (0.47) KDM4EKMT2AALDH1A1LMNAMAPT
SCHEMBL20545386 0.64 KDM4E (0.44) KDM4EPOLBKMT2ATSHRALDH1A1
SCHEMBL30099697 0.62 MAPT (0.68) KDM4EKMT2AALDH1A1LMNAMAPT
SCHEMBL3160763 0.62 MAPT (0.68) KDM4EKMT2AALDH1A1LMNAMAPT
SCHEMBL11375596 0.62 KDM4E (0.43) KDM4EPOLBKMT2AALDH1A1LMNA
SCHEMBL23106195 0.61 ALDH1A1 (0.41) KMT2AALDH1A1MAPTNPC1RAB9A
SCHEMBL7012946 0.61 USP2 (0.48) KDM4EPOLBKMT2AALDH1A1LMNA

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
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
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 (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 KDM4E 4039/4885POLB 3782/4885KMT2A 4455/4885
US-10875875-B2 Propionic acid derivatives and methods of use thereof ITGB3, ITGA1, ITGB5 KDM4E 4039/4885POLB 3782/4885KMT2A 4455/4885

“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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