SCHEMBL16185296

SCHEMBL16185296

C=CCc1c(C(=O)OC)n2c(c(OCc3ccccc3)c1=O)C(=O)N(Cc1ccc(F)c(Cl)c1)CC2

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.37
MAPK8 P45983 6/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPK9 P45984 5/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
LMNA P02545 3/20 0.33
MAPK10 P53779 2/20 0.33
CLPP Q16740 2/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
DRD4 P21917 1/20 0.33
KCNH2 Q12809 1/20 0.32
PTPN1 P18031 2/20 0.32

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
SCHEMBL16180500 0.93 SCD (0.37) SCDSMN1; SMN2LMNACLPPL3MBTL1
SCHEMBL17537043 0.90 SCD (0.34) SCDKMT2ASMN1; SMN2LMNACLPP
SCHEMBL16180587 0.87 SCD (0.36) SCDSMN1; SMN2ALDH1A1LMNACLPP
SCHEMBL16185297 0.87 SCD (0.39) SCDMAPK8MEN1KMT2AMAPK9
SCHEMBL16185332 0.84 LMNA (0.36) SCDMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL5531313 0.81 SCD (0.41) SCDMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL17537030 0.81 SCD (0.38) SCDSMN1; SMN2ALDH1A1LMNACLPP
SCHEMBL16185258 0.81 SCD (0.34) SCDKMT2ASMN1; SMN2LMNACLPP
SCHEMBL16180509 0.81 SCD (0.39) SCDSMN1; SMN2ALDH1A1LMNACLPP
SCHEMBL16185301 0.80 SCD (0.39) SCDSMN1; SMN2ALDH1A1LMNACLPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2986291-B1 4-PYRIDONE DERIVATIVE COMPOUNDS AND USES THEREOF AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME (US) 2020-05-27 EP disclosed
EP-2986291-B1 4-PYRIDONE DERIVATIVE COMPOUNDS AND USES THEREOF AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME (US) 2020-05-27 EP disclosed
US-9493479-B2 Substituted pyrido[1,2-a]pyrazines as HIV integrase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-11-15 US disclosed
US-9493479-B2 Substituted pyrido[1,2-a]pyrazines as HIV integrase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-11-15 US disclosed
US-9493479-B2 Substituted pyrido[1,2-a]pyrazines as HIV integrase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-11-15 US disclosed
US-20160060272-A1 4-PYRIDONE DERIVATIVE COMPOUNDS AND USES THEREOF AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-03-03 US disclosed
US-20160060272-A1 4-PYRIDONE DERIVATIVE COMPOUNDS AND USES THEREOF AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-03-03 US disclosed
US-20160060272-A1 4-PYRIDONE DERIVATIVE COMPOUNDS AND USES THEREOF AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-03-03 US disclosed
WO-2014172188-A2 4-PYRIDONE DERIVATIVE COMPOUNDS AND USES THEREOF AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-10-23 WO 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-20160060272-A1 4-PYRIDONE DERIVATIVE COMPOUNDS AND USES THEREOF AS HIV INTEGRASE INHIBITORS PNPO, TYMP, PDXK SCD 2858/4885MAPK8 2922/4885MEN1 3318/4885

“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.