SCHEMBL21497370

SCHEMBL21497370

C=C/C(=N\C=C/C)c1ccc(F)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PLA2G7 Q13093 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
CHRNA1 P02708 1/20 0.32
CHRNG P07510 1/20 0.32
CHRNB1 P11230 1/20 0.32
CHRNB2 P17787 1/20 0.32
SLC6A2 P23975 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CHRND Q07001 1/20 0.32
MAOA P21397 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
SCHEMBL24849873 0.71 CES2 (0.42) CES2CES1RAB9AMEN1KMT2A
SCHEMBL16961724 0.70 CES2 (0.48) CES2CES1RAB9AMEN1KMT2A
SCHEMBL24288735 0.68 TP53 (0.34)
SCHEMBL2126134 0.66 CES2 (0.59) CES2CES1RAB9AMEN1KMT2A
SCHEMBL4790688 0.65 CES2 (0.52) CES2CES1RAB9AMEN1KMT2A
SCHEMBL2096114 0.65 CES2 (0.52) CES2CES1RAB9AMEN1KMT2A
SCHEMBL6921313 0.65 CES2 (0.52) CES2CES1RAB9AMEN1KMT2A
SCHEMBL26708378 0.65 LDHA (0.48) RAB9A
SCHEMBL6963321 0.63 CES2 (0.54) CES2CES1RAB9AMEN1KMT2A
SCHEMBL16957209 0.62 CES2 (0.44) CES2CES1RAB9AMEN1KMT2A

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-10450286-B2 Compounds and compositions for inhibition of FASN FORMA THERAPEUTICS, INC. (US) 2019-10-22 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-10450286-B2 Compounds and compositions for inhibition of FASN FASN, FABP1, SCD CES2 54/4885CES1 37/4885RAB9A 2916/4885

“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.