SCHEMBL4905967

SCHEMBL4905967

CCOC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3CN(C)C(C)=O)cc2n(C)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.41
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
PABPC1 P11940 1/20 0.34
ALOX5 P09917 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
GRIN2B Q13224 1/20 0.33
MAPT P10636 2/20 0.33
PKM P14618 2/20 0.33
TACR1 P25103 1/20 0.33
GAA P10253 2/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 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
SCHEMBL4894901 0.93 KDM4E (0.42) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL14067541 0.91 ALDH1A1 (0.45) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL4900462 0.90 TACR1 (0.35) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL4894843 0.90 KDM4E (0.38) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL4927680 0.89 ALDH1A1 (0.41) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL4576778 0.89 TACR1 (0.33) MEN1KMT2ALMNASMN1; SMN2GRIN2B
SCHEMBL4906165 0.89 ALDH1A1 (0.39) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL14076857 0.88 ALDH1A1 (0.43) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL4906060 0.88 ALDH1A1 (0.40) KDM4EALDH1A1MEN1KMT2APOLB
SCHEMBL14067512 0.88 ALDH1A1 (0.41) KDM4EALDH1A1MEN1KMT2ALMNA

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-20080214527-A1 Hiv Integrase Inhibitors SHIONOGI & CO. LTD (JP) 2008-09-04 US disclosed
US-20080214527-A1 Hiv Integrase Inhibitors SHIONOGI & CO. LTD (JP) 2008-09-04 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-20080214527-A1 Hiv Integrase Inhibitors API5, ING2, SAMHD1 KDM4E 1139/4885ALDH1A1 2874/4885MEN1 4841/4885

“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.