SCHEMBL21946554

SCHEMBL21946554

COC(=O)C(N)Cn1ccnc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 7/20 0.53
FDPS P14324 1/20 0.46
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
Hydrochloric Acid SCHEMBL21879108 0.98 CYP26A1 (0.52) CYP26A1FDPSCYP3A4CYP2D6ALDH1A1
SCHEMBL18167013 0.82 CYP26A1 (0.51) CYP26A1FDPSALDH1A1RAB9AKDM4E
SCHEMBL29852327 0.82 CYP26A1 (0.51) CYP26A1FDPSALDH1A1RAB9AKDM4E
SCHEMBL29852757 0.82 CYP26A1 (0.51) CYP26A1FDPSALDH1A1RAB9AKDM4E
Hydrochloric Acid SCHEMBL27568543 0.81 CYP26A1 (0.50) CYP26A1FDPSCYP3A4CYP2D6ALDH1A1
SCHEMBL5324131 0.80 ALDH1A1 (0.53) FDPSALDH1A1KDM4E
SCHEMBL8241715 0.80 ALDH1A1 (0.53) FDPSALDH1A1KDM4E
SCHEMBL12243286 0.78 ALDH1A1 (0.38) CYP26A1ALDH1A1KDM4E
SCHEMBL16328527 0.77 QPCT (0.49) CYP26A1FDPSALDH1A1
SCHEMBL28723149 0.75 ALDH1A1 (0.49) CYP26A1FDPSALDH1A1RAB9AKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11345669-B2 Urea derivatives and methods of use thereof NodThera Limited (GB) 2022-05-31 US disclosed
US-20200131141-A1 CHEMICAL COMPOUNDS NodThera Limited (GB) 2020-04-30 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 (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-20200131141-A1 CHEMICAL COMPOUNDS IL1B, CASP1, IL1A CYP26A1 1632/4885FDPS 232/4885CYP3A4 2266/4885
US-11345669-B2 Urea derivatives and methods of use thereof IL1B, IL1A, NOD1 CYP26A1 1462/4885FDPS 578/4885CYP3A4 1741/4885

“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.