SCHEMBL3524314

SCHEMBL3524314

O=C(NCc1ccc(F)cc1)c1cn2c(c(O)c1=O)C(=O)N(CCCN1CCOCC1)CC2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
RECQL P46063 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
GAA P10253 2/20 0.47
GLA P06280 1/20 0.47
MAPT P10636 1/20 0.47
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
HSD17B10 Q99714 1/20 0.45
POLA1 P09884 2/20 0.45
KMT2A Q03164 1/20 0.45
TP53 P04637 1/20 0.44
CNR2 P34972 2/20 0.43
KCNH2 Q12809 1/20 0.42
SLC22A2 O15244 2/20 0.42
CYP3A4 P08684 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42

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
SCHEMBL3525978 0.96 KMT2A (0.47) LMNAKDM4EALDH1A1HPGDRECQL
SCHEMBL3528811 0.88 MAPT (0.47) MAPTSLC22A2
SCHEMBL22482699 0.87 MAPT (0.44) MAPTSLC22A2CYP3A4TMEM97ABCG2
SCHEMBL2184805 0.85 SLC22A2 (0.44) MAPTSLC22A2CYP3A4TMEM97ABCG2
SCHEMBL2186846 0.85 CYP2C19 (0.47) LMNAKDM4EALDH1A1HPGDGAA
SCHEMBL2187748 0.85 LIPG (0.45) MAPTSLC22A2CYP3A4TMEM97ABCG2
SCHEMBL3520763 0.83 TP53 (0.49) TP53SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL82568 0.83 LIPG (0.46) MAPTSLC22A2
SCHEMBL2187466 0.83 LIPG (0.44) MAPTSLC22A2CYP3A4TMEM97ABCG2
SCHEMBL3521540 0.83 MAPT (0.41) MAPTSLC22A2CYP3A4TMEM97ABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188271-B2 Polycyclic carbamoylpyridone derivative having HIV integrase inhibitory activity SHIONOGI & CO., LTD. (JP) 2012-05-29 US disclosed
US-7858788-B2 Bicyclic carbamoylpyridone derivative having HIV integrase inhibitory activity SHIONOGI & CO., LTD. (JP) 2010-12-28 US disclosed
US-20090143356-A1 Polycylclic Carbamoylpyridone Derivative Having HIV Integrase Inhibitory Acitvity SHIONOGI & CO., LTD. (JP) 2009-06-04 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-20090143356-A1 Polycylclic Carbamoylpyridone Derivative Having HIV Integrase Inhibitory Acitvity CDK20, CYP4A22, CDK10 LMNA 969/4885KDM4E 1338/4885ALDH1A1 2882/4885

“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.