SCHEMBL21879161

SCHEMBL21879161

CCOC(=O)C(Cc1cnoc1)N=C(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
TBXAS1 P24557 2/20 0.39
MMP8 P22894 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PPARG P37231 3/20 0.35
PPARA Q07869 2/20 0.35
PIN1 Q13526 1/20 0.35
MAPT P10636 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HIF1A Q16665 1/20 0.34
EPHX2 P34913 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
SCHEMBL20502435 0.80 HSD17B10 (0.43) AAK1MEN1KMT2ANPC1TBXAS1
SCHEMBL28584476 0.79 PPARG (0.45) AAK1MEN1KMT2ANPC1MMP8
SCHEMBL6374186 0.78 AAK1 (0.39) AAK1MEN1KMT2ANPC1TBXAS1
SCHEMBL7400423 0.78 CES2 (0.44) AAK1MEN1KMT2ANPC1MMP8
SCHEMBL5151578 0.78 CES2 (0.44) AAK1MEN1KMT2ANPC1MMP8
SCHEMBL21879196 0.78 ALDH1A1 (0.41) AAK1MEN1KMT2ANPC1TBXAS1
SCHEMBL5311248 0.77 AAK1 (0.42) AAK1MEN1KMT2ANPC1MMP8
SCHEMBL7444988 0.77 AAK1 (0.39) AAK1MEN1KMT2ANPC1MMP8
SCHEMBL7364949 0.77 AAK1 (0.39) AAK1MEN1KMT2ANPC1MMP8
SCHEMBL5928301 0.77 MEN1 (0.51) AAK1MEN1KMT2ANPC1TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110869352-B Chemical compound 诺瑟拉有限公司 2023-11-28 CN disclosed
EP-3596052-B1 CHEMICAL COMPOUNDS NODTHERA LTD (GB) 2022-07-20 EP disclosed
US-11345669-B2 Urea derivatives and methods of use thereof NodThera Limited (GB) 2022-05-31 US disclosed
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
US-20200131141-A1 CHEMICAL COMPOUNDS NodThera Limited (GB) 2020-04-30 US disclosed
CN-110869352-A Chemical compound 诺瑟拉有限公司 2020-03-06 CN 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 AAK1 2505/4885MEN1 888/4885KMT2A 4501/4885
US-11345669-B2 Urea derivatives and methods of use thereof IL1B, IL1A, NOD1 AAK1 2183/4885MEN1 1001/4885KMT2A 4408/4885

“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.