SCHEMBL4907019

SCHEMBL4907019

CCOC(=O)c1c(OC(=O)C(C)(C)C)c2ncc(Cc3ccc(F)cc3OCCN3CCOCC3)cc2n(C)c1=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASP7 P55210 1/20 0.36
CASP6 P55212 1/20 0.36
HTR2A P28223 3/20 0.36
HTR2C P28335 3/20 0.36
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36
P2RX7 Q99572 1/20 0.35
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.35
HPGD P15428 3/20 0.35
GAA P10253 1/20 0.35
POLB P06746 1/20 0.35
CNR2 P34972 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ELANE P08246 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL16481073 0.90 KDM4E (0.34) CASP7ALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL4907045 0.88 HPGD (0.37) ALDH1A1KDM4EHPGDGAAPOLB
SCHEMBL5541105 0.87 ALDH1A1 (0.35) ALDH1A1KDM4EPOLBSMN1; SMN2MEN1
SCHEMBL4907731 0.86 SMN1; SMN2 (0.36) ALDH1A1KDM4EGAASMN1; SMN2HSD17B10
SCHEMBL4907066 0.85 KDM4E (0.36) CASP7ALDH1A1KDM4EHPGDGAA
SCHEMBL4896257 0.85 ALDH1A1 (0.39) ALDH1A1KDM4EPOLBSMN1; SMN2HSD17B10
SCHEMBL14067440 0.85 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDGAAPOLB
SCHEMBL4907755 0.85 KDM4E (0.33) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL4904871 0.83 KDM4E (0.33) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL4907882 0.83 ALDH1A1 (0.35) ALDH1A1KDM4EHPGDGAAPOLB

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-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 CASP7 2980/4885CASP6 1750/4885HTR2A 4370/4885

“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.