SCHEMBL13315958

SCHEMBL13315958

CCCCn1c(C(=O)OC)c([N+](=O)[O-])c(=O)[nH]c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.40
▸ KDM4E B2RXH2 5/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ GAA P10253 3/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MEN1 O00255 5/20 0.40
▸ ATM Q13315 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ NSD2 O96028 1/20 0.38
▸ PAX8 Q06710 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PDE4A P27815 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDE4C Q08493 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ TSHR P16473 2/20 0.36
▸ TP53 P04637 1/20 0.36

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
SCHEMBL13315955 0.79 NCOA1 (0.40) KMT2AKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL13315970 0.76 KDM4E (0.39) KMT2AKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL28771116 0.76 SMN1; SMN2 (0.40) KMT2AALDH1A1GAASMN1; SMN2MEN1
SCHEMBL13315954 0.69 ALDH1A1 (0.44) KDM4EALDH1A1GAAMAPTPDE4A
SCHEMBL4766186 0.69 ADORA2B (0.43) KMT2AKDM4EALDH1A1GAAMEN1
SCHEMBL10961560 0.69 KDM4E (0.48) KDM4EALDH1A1GAASMN1; SMN2ATM
SCHEMBL11170803 0.69 KDM4E (0.48) KDM4EALDH1A1GAASMN1; SMN2ATM
SCHEMBL11170798 0.69 KDM4E (0.46) KDM4EALDH1A1GAASMN1; SMN2ATM
Lithium Ion SCHEMBL11164273 0.69 KDM4E (0.46) KDM4EALDH1A1GAASMN1; SMN2ATM
Potassium Ion SCHEMBL10961555 0.69 KDM4E (0.46) KDM4EALDH1A1GAASMN1; SMN2ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144764-A1 PYRIMIDINEDIONE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION 2010-06-10 — — US disclosed
WO-2008127591-A2 PYRIMIDINEDIONE DERIVATIVES AND USE THEREOF SCHERING CORPORATION (US) 2008-10-23 — — 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 (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-20100144764-A1 PYRIMIDINEDIONE DERIVATIVES AND METHODS OF USE THEREOF DPYD, TYMS, FPGS KMT2A 2913/4885KDM4E 2442/4885ALDH1A1 99/4885

“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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