SCHEMBL21178029

SCHEMBL21178029

CC(C)N(C(C)C)P(Oc1ccccc1F)N(C(C)C)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 3/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.37
ESR1 P03372 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
RHEB Q15382 1/20 0.36
TP53 P04637 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 1/20 0.34
NFE2L2 Q16236 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL21178018 0.72 CA4 (0.37) GAALMNAHPGDKMT2AKDM4E
SCHEMBL28392023 0.71 L3MBTL1 (0.41) ALDH1A1GAALMNAESR1L3MBTL1
SCHEMBL21178022 0.70 ADRA2A (0.33) ALDH1A1GAA
SCHEMBL21178203 0.70 IDO1 (0.46) ALDH1A1LMNASMN1; SMN2SLC6A2SLC6A3
SCHEMBL22762213 0.69 TP53 (0.39) ALDH1A1TP53SMN1; SMN2NFE2L2MEN1
SCHEMBL22762103 0.69 TAAR1 (0.36) NPSR1SLC6A2SLC6A4HTR1AKDM4E
SCHEMBL22801249 0.68 TAAR1 (0.45) ALDH1A1GAALMNAL3MBTL1SMN1; SMN2
SCHEMBL21178741 0.68 KDM4E (0.36) ALDH1A1GAASMN1; SMN2SLC6A2SLC6A4
SCHEMBL14841092 0.67 PPARG (0.41) ALDH1A1GAALMNAHPGDNPSR1
SCHEMBL104729 0.67 ALDH1A1 (0.53) ALDH1A1GAALMNAHPGDNPSR1

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 ALDH1A1 240/4885GAA 2074/4885LMNA 1225/4885
US-11427550-B2 5-fluorouracil compounds DPYD, DHFR, MTHFD1 ALDH1A1 104/4885GAA 2573/4885LMNA 1038/4885

“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.