SCHEMBL29950209

SCHEMBL29950209

[N-]=[N+]=Nc1c(O)c2ccccc2oc1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.53
▸ NQO1 P15559 6/20 0.51
▸ ALDH1A1 P00352 4/20 0.51
▸ CYP2C9 P11712 2/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ ABCB11 O95342 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ PDE4D Q08499 1/20 0.51
▸ PCSK7 Q16549 1/20 0.51
▸ GPR35 Q9HC97 1/20 0.51
▸ MAPT P10636 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ CA12 O43570 1/20 0.49

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
SCHEMBL15541690 1.00 KDM4E (0.53) KDM4ENQO1ALDH1A1CYP2C9MEN1
SCHEMBL15542047 0.88 KDM4E (0.49) KDM4ENQO1ALDH1A1CYP2C9MEN1
SCHEMBL6695228 0.80 KDM4E (0.59) KDM4ENQO1ALDH1A1CYP2C9MEN1
SCHEMBL16863152 0.78 KDM4E (0.53) KDM4EALDH1A1CYP2C9MEN1KMT2A
SCHEMBL11766676 0.75 MAPT (0.59) KDM4ENQO1ALDH1A1CYP2C9MEN1
SCHEMBL11766670 0.75 MAPT (0.59) KDM4ENQO1ALDH1A1CYP2C9MEN1
SCHEMBL29379994 0.74 KDM4E (0.69) KDM4ENQO1ALDH1A1CYP2C9MEN1
SCHEMBL7737431 0.74 KDM4E (0.69) KDM4ENQO1ALDH1A1CYP2C9MEN1
SCHEMBL29872 0.74 KDM4E (0.69) KDM4ENQO1ALDH1A1CYP2C9MEN1
SCHEMBL30129469 0.74 ALDH1A1 (0.37) KDM4ENQO1ALDH1A1CYP2C9MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220296627-A1 Cytidine Derivatives and Methods of Forming Cytidine Derivatives Aenorasis Commercial Company of Pharmaceutical and Medical Products and Machines Societe Anonyme (GR) 2022-09-22 — — 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-20220296627-A1 Cytidine Derivatives and Methods of Forming Cytidine Derivatives DCTD, CDA, DCK KDM4E 3844/4885NQO1 1682/4885ALDH1A1 2245/4885

“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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