SCHEMBL3528408

SCHEMBL3528408

CN(C)c1ccc(CN2CCn3cc(C(=O)NCc4ccc(F)cc4)c(=O)c(O)c3C2=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 13/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
THRB P10828 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
SCHEMBL14129795 1.00 SLC22A2 (0.43) SLC22A2TP53CYP3A4TMEM97ABCG2
Hydrochloric Acid SCHEMBL4319293 0.99 SLC22A2 (0.43) SLC22A2TP53CYP3A4TMEM97ABCG2
SCHEMBL3520763 0.93 TP53 (0.49) SLC22A2TP53CYP3A4TMEM97ABCG2
SCHEMBL4317997 0.89 SCD (0.47) SLC22A2TP53THRB
SCHEMBL4328267 0.87 MAPT (0.47) SLC22A2TP53CYP3A4TMEM97ABCG2
SCHEMBL4323142 0.87 SLC22A2 (0.43) SLC22A2TP53CYP3A4TMEM97ABCG2
Hydrochloric Acid SCHEMBL4328866 0.86 MAPT (0.47) SLC22A2TP53CYP3A4TMEM97ABCG2
SCHEMBL4326952 0.86 POLB (0.47) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL3528255 0.85 SLC22A2 (0.42) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL3528935 0.85 MAPT (0.43) SLC22A2CYP3A4TMEM97ABCG2

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
EP-1950212-B1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING INHIBITORY ACTIVITY ON HIV INTEGRASE SHIONOGI & CO (JP) 2016-02-24 EP disclosed
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
EP-1950212-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING INHIBITORY ACTIVITY ON HIV INTEGRASE Shionogi Co., Ltd. (JP) 2008-07-30 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 (2 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-20120208998-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY CDKN1A, CDK2, CDK2AP1 SLC22A2 4007/4885TP53 679/4885CYP3A4 398/4885
US-20090143356-A1 Polycylclic Carbamoylpyridone Derivative Having HIV Integrase Inhibitory Acitvity CDK20, CYP4A22, CDK10 SLC22A2 503/4885TP53 3192/4885CYP3A4 484/4885

“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.