SCHEMBL3768879

SCHEMBL3768879

C=CCOc1cccc(CN)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
GAA P10253 1/20 0.48
BCHE P06276 1/20 0.48
NOS1 P29475 1/20 0.48
NOS2 P35228 1/20 0.48
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAOB P27338 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PNMT P11086 1/20 0.41
ENPP2 Q13822 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
SCHEMBL15839353 0.86 TAAR1 (0.57) KDM4ENPC1RAB9AGAABCHE
SCHEMBL723458 0.85 BCHE (0.53) KDM4ENPC1RAB9AGAABCHE
SCHEMBL22215905 0.85 KDM4E (0.51) KDM4ENPC1RAB9AGAABCHE
SCHEMBL2318952 0.84 KDM4E (0.50) KDM4ENPC1RAB9AGAABCHE
SCHEMBL3766493 0.83 MAOB (0.43) KDM4EBCHENOS1NOS2MAOB
SCHEMBL1520719 0.82 MEN1 (0.50) KDM4ENPC1RAB9AGAABCHE
SCHEMBL12482566 0.82 NOS1 (0.48) BCHENOS1NOS2MAOBPNMT
SCHEMBL20482022 0.82 KDM4E (0.49) KDM4ENPC1RAB9AGAABCHE
SCHEMBL2522114 0.82 KDM4E (0.52) KDM4ENPC1RAB9AGAABCHE
SCHEMBL2521472 0.82 KDM4E (0.49) KDM4ENPC1RAB9AGAABCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3673908-B1 ANTI-TUMOR EFFECT POTENTIATOR TAIHO PHARMACEUTICAL CO LTD (JP) 2022-01-12 EP disclosed
EP-2508185-B1 ANTI-TUMOR EFFECT POTENTIATOR TAIHO PHARMACEUTICAL CO LTD (JP) 2020-03-04 EP disclosed
US-20100311790-A1 AMIDE COMPOUNDS AND PLANT DISEASE CONTROLLING METHOD USING SAME SUMITOMO CHIEMCAL COMPANY LIMITED (JP) 2010-12-09 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-20100311790-A1 AMIDE COMPOUNDS AND PLANT DISEASE CONTROLLING METHOD USING SAME ATL3, NAT1, C5 KDM4E 2021/4885NPC1 166/4885RAB9A 95/4885

“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.