SCHEMBL21178232

SCHEMBL21178232

CC(C)N(C(C)C)P(Oc1ccc(Cl)cc1)N(C(C)C)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2C9 P11712 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
ADRB2 P07550 1/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
HPGD P15428 1/20 0.32
LMNA P02545 1/20 0.32
CYP2A6 P11509 1/20 0.32

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 0.79 CA4 (0.37) CYP1A2CYP2C19CYP2C9CA1CA2
SCHEMBL1060869 0.72 IDO1 (0.42) CA1CA2CA9ALDH1A1MAOA
SCHEMBL10491036 0.70 HPGD (0.41) POLBCYP1A2CYP2C19CA1CA2
SCHEMBL593487 0.68 LMNA (0.47) CYP1A2CYP2C19CYP2C9CA1CA2
SCHEMBL7771305 0.66 LMNA (0.44) CYP1A2CYP2C19CYP2C9CA1CA2
SCHEMBL11048181 0.66 LMNA (0.44) CYP1A2CYP2C19CYP2C9CA1CA2
Hydrochloric Acid SCHEMBL11098692 0.66 LMNA (0.44) POLBCYP1A2CYP2C19CYP2C9CA1
SCHEMBL9446421 0.66 HPGD (0.41) CYP1A2CYP2C19CA1CA2CA9
SCHEMBL5970336 0.64 IDO1 (0.42) CA1CA2CA9ALDH1A1MAOA
SCHEMBL594537 0.64 LMNA (0.42) CYP1A2CYP2C19CA1CA2CA9

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 POLB 1604/4885CYP1A2 220/4885CYP2C19 272/4885
US-11427550-B2 5-fluorouracil compounds DPYD, DHFR, MTHFD1 POLB 1656/4885CYP1A2 139/4885CYP2C19 192/4885

“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.