SCHEMBL21179052

SCHEMBL21179052

CC(C)N(C(C)C)P(OCc1ccc(F)c(F)c1)N(C(C)C)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.39
MAOA P21397 3/20 0.39
HTR6 P50406 2/20 0.34
ACHE P22303 1/20 0.34
BMP1 P13497 1/20 0.34
HTT P42858 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MME P08473 1/20 0.33
ACE P12821 1/20 0.33
CPA1 P15085 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
RIPK1 Q13546 1/20 0.33
DRD4 P21917 2/20 0.31
SIGMAR1 Q99720 2/20 0.31
TMEM97 Q5BJF2 1/20 0.31
S1PR3 Q99500 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
SCHEMBL21177998 0.81 IDO1 (0.42) MAOBMAOA
SCHEMBL21178030 0.79 IDO1 (0.49) MAOBMAOA
SCHEMBL21178000 0.78 IDO1 (0.42) MAOB
SCHEMBL1060869 0.78 IDO1 (0.42) MAOBMAOAHTTALDH1A1
SCHEMBL22801228 0.77 DPP4 (0.40)
SCHEMBL21178234 0.76 CYP3A4 (0.49) MAOBMAOA
SCHEMBL21177999 0.76 TDP1 (0.33) ALDH1A1MAPTL3MBTL1
SCHEMBL28402357 0.75 MAOB (0.40) MAOBMAOAHTR6ACHEHTT
SCHEMBL22801194 0.75 IDO1 (0.52) ACHEL3MBTL1
SCHEMBL2252915 0.74 TSHR (0.41) MAOAHTTALDH1A1MAPTL3MBTL1

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
US-11427550-B2 5-fluorouracil compounds NUCORION PHARMACEUTICALS, INC. (US) 2022-08-30 US disclosed
US-20200399227-A1 5-FLUOROURACIL COMPOUNDS NUCORION PHARMACEUTICALS, INC. 2020-12-24 US disclosed
WO-2019143860-A1 5-FLUOROURACIL COMPOUNDS NUCORION PHARMACEUTICALS, INC. (US) 2019-07-25 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 (2 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-20200399227-A1 5-FLUOROURACIL COMPOUNDS DPYD, DHFR, FAU MAOB 846/4885MAOA 986/4885HTR6 144/4885
US-11427550-B2 5-fluorouracil compounds DPYD, DHFR, MTHFD1 MAOB 808/4885MAOA 980/4885HTR6 151/4885

“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.