SCHEMBL21178203

SCHEMBL21178203

CC(C)N(C(C)C)P(OCc1ccccc1F)N(C(C)C)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.46
TAAR1 Q96RJ0 3/20 0.40
MCL1 Q07820 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAOB P27338 5/20 0.38
AOC3 Q16853 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SCN9A Q15858 1/20 0.36
PARP15 Q460N3 1/20 0.35
PARP14 Q460N5 1/20 0.35
PARP10 Q53GL7 1/20 0.35

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
SCHEMBL22801249 0.84 TAAR1 (0.45) IDO1TAAR1ALDH1A1MAOBAOC3
SCHEMBL31289110 0.81 TAAR1 (0.42) IDO1TAAR1ALDH1A1MAOBAOC3
SCHEMBL22801201 0.81 TAAR1 (0.42) IDO1TAAR1ALDH1A1MAOBAOC3
SCHEMBL30087506 0.81 MEN1 (0.32) IDO1ALDH1A1HTT
SCHEMBL21178741 0.81 KDM4E (0.36) TAAR1ALDH1A1SLC6A2SMN1; SMN2
SCHEMBL21178902 0.81 IDO1 (0.49) IDO1ALDH1A1MAOBSLC6A2SLC6A3
SCHEMBL21178106 0.80 IDO1 (0.46) IDO1TAAR1MAOBAOC3SLC6A2
SCHEMBL21178854 0.79 RIPK1 (0.33)
SCHEMBL22801200 0.79 IDO1 (0.50) IDO1TAAR1ALDH1A1AOC3SLC6A2
SCHEMBL21178033 0.78 SLC6A2 (0.35) IDO1SLC6A2SLC6A3

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 IDO1 4055/4885TAAR1 4315/4885MCL1 211/4885
US-11427550-B2 5-fluorouracil compounds DPYD, DHFR, MTHFD1 IDO1 3948/4885TAAR1 3838/4885MCL1 304/4885

“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.