SCHEMBL4028244

SCHEMBL4028244

COc1c(CO)ncc(C(=O)NC(F)c2ccccc2)c1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.40
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 1/20 0.37
CCNB2 O95067 1/20 0.37
CCNE2 O96020 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
ALDH1A1 P00352 1/20 0.36
NPY5R Q15761 1/20 0.35
ACACB O00763 1/20 0.35
BRD4 O60885 1/20 0.35
LRRK2 Q5S007 1/20 0.35
SMPD1 P17405 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL2187651 0.78 LMNA (0.59) HPGDLMNARAB9AALDH1A1MEN1
SCHEMBL4028242 0.78 PLA2G1B (0.48) HPGDLMNAALDH1A1MEN1KMT2A
SCHEMBL2186894 0.72 LMNA (0.54) HPGDLMNANPC1RAB9ACCNB2
SCHEMBL81774 0.70 LMNA (0.45) HPGDLMNACCNB2CCNE2CDK1
SCHEMBL20228172 0.69 LMNA (0.48) HPGDLMNANPC1RAB9ACCNB2
SCHEMBL2186250 0.67 LMNA (0.60) HPGDLMNAALDH1A1KMT2A
SCHEMBL81576 0.67 LMNA (0.60) HPGDLMNANPC1RAB9AALDH1A1
SCHEMBL2187010 0.66 LMNA (0.59) HPGDLMNARAB9AALDH1A1MEN1
SCHEMBL18233757 0.65 PTPN1 (0.48) HPGDLMNAHDAC6
SCHEMBL2187912 0.65 MAPT (0.58) HPGDLMNARAB9AALDH1A1MEN1

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-7550463-B2 Carbamoylpyridone derivatives having inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2009-06-23 US disclosed
US-20070249687-A1 Carbamoylpyridone Derivatives Having Inhibitory Activity Against Hiv Integrase SHIONOGI & CO., LTD. (JP) 2007-10-25 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-20070249687-A1 Carbamoylpyridone Derivatives Having Inhibitory Activity Against Hiv Integrase CDKL4, CDKL5, CDKL1 PDE4D 4015/4885HPGD 4103/4885LMNA 4066/4885

“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.