SCHEMBL16185236

SCHEMBL16185236

O=C1c2c(OCc3ccccc3)c(=O)c3c(n2CCN1Cc1ccc(F)c(Cl)c1)COC31C=CCC1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
CLPP Q16740 5/20 0.34
DRD4 P21917 1/20 0.34
SCD O00767 1/20 0.34
KCNH2 Q12809 2/20 0.33
GRM2 Q14416 3/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
TNIK Q9UKE5 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL16185257 0.96 CLPP (0.34) LMNASMN1; SMN2L3MBTL1NCOA3CLPP
SCHEMBL16185237 0.85 TSHR (0.33) CLPPKCNH2GRM2TSHRTNIK
SCHEMBL16185233 0.82 DRD4 (0.34) LMNASMN1; SMN2L3MBTL1NCOA3CLPP
SCHEMBL16185256 0.82 CLPP (0.34) LMNASMN1; SMN2L3MBTL1NCOA3CLPP
SCHEMBL16185255 0.80 TSHR (0.32) CLPPKCNH2GRM2TSHRTNIK
SCHEMBL16180592 0.78 CLPP (0.38) LMNASMN1; SMN2L3MBTL1NCOA3CLPP
SCHEMBL16180413 0.78 CLPP (0.36) LMNASMN1; SMN2L3MBTL1NCOA3CLPP
SCHEMBL21981664 0.78 CLPP (0.38) LMNASMN1; SMN2L3MBTL1NCOA3CLPP
SCHEMBL17547425 0.78 CLPP (0.38) LMNASMN1; SMN2L3MBTL1NCOA3CLPP
SCHEMBL16185234 0.77 DRD4 (0.38) LMNASMN1; SMN2L3MBTL1NCOA3CLPP

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 7 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-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 LMNA 1833/4885SMN1; SMN2 3507/4885L3MBTL1 1826/4885

“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.