SCHEMBL19684745

SCHEMBL19684745

CCCCOc1cc(Br)cc2c1C(=O)NCCO2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.35
PTPN1 P18031 1/20 0.35
FABP6 P51161 1/20 0.34
PDE4D Q08499 4/20 0.32
PDE4B Q07343 3/20 0.32
PDE4A P27815 3/20 0.32
PDE4C Q08493 2/20 0.32
LMNA P02545 4/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 3/20 0.32
TP53 P04637 1/20 0.32
MAOB P27338 1/20 0.32
MAPK1 P28482 3/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 2/20 0.31
TNF P01375 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31

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
SCHEMBL19684895 0.86 FABP6 (0.35) FABP6PDE4DPDE4BPDE4APDE4C
SCHEMBL32691311 0.82 FABP6 (0.38) FABP6SMN1; SMN2GAAMAPTTP53
SCHEMBL19667307 0.79 GRM5 (0.42) PTPN1SMN1; SMN2MAOBNPSR1KDM4E
SCHEMBL19684924 0.79 PARP10 (0.41) CNR2PTPN1PDE4DPDE4BPDE4A
SCHEMBL19679348 0.74 FABP6 (0.41) FABP6LMNAGAAMAPTTSHR
SCHEMBL16535556 0.72 FABP6 (0.48) FABP6LMNAGAAMAPTKDM4E
SCHEMBL19684746 0.70 CNR2 (0.34) CNR2PDE4DPDE4BPDE4APDE4C
SCHEMBL5393397 0.69 CYP3A4 (0.47) CNR2LMNASMN1; SMN2MAPTMAOB
SCHEMBL21593493 0.66 PARP10 (0.44) PDE4ALMNASMN1; SMN2GAAMAPT
SCHEMBL19684894 0.65 GRM5 (0.43) SMN1; SMN2MAOBNPSR1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170348313-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. (US) 2017-12-07 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-20170348313-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS DUT, NCL, TYMP CNR2 4127/4885PTPN1 4606/4885FABP6 3697/4885

“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.