SCHEMBL22639182

SCHEMBL22639182

CC(C)C(=O)Nc1ncc([C@H]2CC(O)[C@@H](CO)O2)c(=O)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
TK1 P04183 2/20 0.36
TK2 O00142 1/20 0.36
POLA1 P09884 1/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TSHR P16473 1/20 0.33
GALR3 O60755 1/20 0.33
NR2F2 P24468 1/20 0.33
ALOX12 P18054 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRB1 P08588 1/20 0.32
DNMT1 P26358 1/20 0.32
NCOA1 Q15788 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
NOS1 P29475 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
SCHEMBL27056556 0.89 KDM4E (0.39) KDM4ETK1TK2POLA1LMNA
SCHEMBL27056553 0.81 KDM4E (0.39) KDM4EPOLA1LMNATSHR
SCHEMBL27056723 0.81 KDM4E (0.39) KDM4EPOLA1LMNATSHR
SCHEMBL7782815 0.80 KDM4E (0.41) KDM4ETK1TK2POLA1LMNA
SCHEMBL7782820 0.80 KDM4E (0.41) KDM4ETK1TK2POLA1LMNA
SCHEMBL22619624 0.78 GALR3 (0.35) KDM4ESMN1; SMN2GALR3NR2F2ADRB1
SCHEMBL22639186 0.78 LMNA (0.38) KDM4ELMNASMN1; SMN2TSHR
SCHEMBL24420510 0.76 ADRB1 (0.42) TK1TK2LMNASMN1; SMN2TSHR
SCHEMBL27054425 0.76 ADRB1 (0.42) TK1TK2LMNASMN1; SMN2TSHR
SCHEMBL14088383 0.75 SMN1; SMN2 (0.39) LMNASMN1; SMN2TSHR

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-10829511-B1 Molecular recognition systems with pyrimidine analog pairing BENNER STEVEN A (US) 2020-11-10 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-10829511-B1 Molecular recognition systems with pyrimidine analog pairing DPYD, DTYMK, TYMS KDM4E 4089/4885TK1 54/4885TK2 114/4885

“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.