SCHEMBL21947598

SCHEMBL21947598

CCOC(=O)C(N)Cc1ccnnc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.65
NLRP3 Q96P20 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.41
CPB2 Q96IY4 1/20 0.39
TPH1 P17752 2/20 0.38
MMP8 P22894 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
HIF1A Q16665 1/20 0.35
SCN9A Q15858 1/20 0.34
PKM P14618 2/20 0.34
ALPI P09923 1/20 0.34
PTGS1 P23219 1/20 0.34
XIAP P98170 1/20 0.34
SLC7A5 Q01650 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CDC7 O00311 1/20 0.34

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 SCHEMBL20502148 0.98 HSD17B10 (0.63) HSD17B10NLRP3LOXL2CPB2TPH1
SCHEMBL20543866 0.81 FDPS (0.48) CYP1A2CYP2C9PKMGAAKMT2A
SCHEMBL21947585 0.81 FDPS (0.48) CYP1A2CYP2C9PKMGAAKMT2A
SCHEMBL7337155 0.81 FDPS (0.48) CYP1A2CYP2C9PKMGAAKMT2A
SCHEMBL7960935 0.80 SLC7A5 (0.48) CPB2TPH1MMP8PKMALPI
Hydrochloric Acid SCHEMBL6980665 0.79 FDPS (0.47) CYP1A2CYP2C9PKMGAAKMT2A
Hydrochloric Acid SCHEMBL29115298 0.79 FDPS (0.47) CYP1A2CYP2C9PKMGAAKMT2A
Hydrochloric Acid SCHEMBL29115300 0.79 FDPS (0.47) CYP1A2CYP2C9PKMGAAKMT2A
Hydrochloric Acid SCHEMBL29657240 0.79 FDPS (0.47) CYP1A2CYP2C9PKMGAAKMT2A
SCHEMBL31000639 0.79 HSD17B10 (1.00) HSD17B10LOXL2TPH1CYP1A2HIF1A

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 HSD17B10 1789/4885NLRP3 4/4885LOXL2 1288/4885
US-11345669-B2 Urea derivatives and methods of use thereof IL1B, IL1A, NOD1 HSD17B10 2652/4885NLRP3 5/4885LOXL2 3088/4885

“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.