SCHEMBL3525978

SCHEMBL3525978

O=C(NCc1ccc(F)cc1)c1cn2c(c(O)c1=O)C(=O)N(CCN1CCOCC1)CC2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
POLA1 P09884 2/20 0.46
LMNA P02545 3/20 0.46
TP53 P04637 2/20 0.46
KCNH2 Q12809 1/20 0.44
SLC22A2 O15244 3/20 0.43
CYP3A4 P08684 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
RECQL P46063 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
CNR2 P34972 1/20 0.42
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41

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
SCHEMBL3524314 0.96 LMNA (0.47) KMT2APOLA1LMNATP53KCNH2
SCHEMBL3528811 0.92 MAPT (0.47) SLC22A2MAPT
SCHEMBL2184805 0.88 SLC22A2 (0.44) SLC22A2CYP3A4TMEM97ABCG2MAPT
SCHEMBL3520763 0.86 TP53 (0.49) TP53SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL22482699 0.85 MAPT (0.44) SLC22A2CYP3A4TMEM97ABCG2MAPT
SCHEMBL2187466 0.85 LIPG (0.44) SLC22A2CYP3A4TMEM97ABCG2MAPT
SCHEMBL82568 0.85 LIPG (0.46) SLC22A2MAPT
SCHEMBL2237584 0.84 KMT2A (0.48) KMT2ALMNASLC22A2MAPT
SCHEMBL2187383 0.84 MAPT (0.43) KMT2ASLC22A2CYP3A4TMEM97ABCG2
SCHEMBL3528935 0.84 MAPT (0.43) SLC22A2CYP3A4TMEM97ABCG2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120208998-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY YOSHIDA HIROSHI (JP) 2012-08-16 US disclosed
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
US-20080161271-A1 Bicyclic Carbamoylpyridone Derivative Having Hiv Integrase Inhibitory Activity SHIONOGI & CO., LTD. (JP) 2008-07-03 US disclosed
EP-1852434-A1 BICYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITING ACTIVITY Shionogi Co., Ltd. (JP) 2007-11-07 EP 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 (3 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-20080161271-A1 Bicyclic Carbamoylpyridone Derivative Having Hiv Integrase Inhibitory Activity NR4A1, HAT1, NR4A2 KMT2A 574/4885POLA1 284/4885LMNA 4549/4885
US-20120208998-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY CDKN1A, CDK2, CDK2AP1 KMT2A 215/4885POLA1 20/4885LMNA 2218/4885
US-20090143356-A1 Polycylclic Carbamoylpyridone Derivative Having HIV Integrase Inhibitory Acitvity CDK20, CYP4A22, CDK10 KMT2A 214/4885POLA1 370/4885LMNA 969/4885

“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.