SCHEMBL17813784

SCHEMBL17813784

CNC(=O)/N=C1\SCC(=O)N1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.44
▸ MEN1 O00255 5/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ GSK3A P49840 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ MAPT P10636 5/20 0.36
▸ POLB P06746 4/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ PSMD14 O00487 1/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ ALPL P05186 1/20 0.33
▸ ALPI P09923 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
SCHEMBL17813792 0.83 GRM5 (0.36) MEN1KMT2APOLBGRM5
SCHEMBL11816178 0.77 MEN1 (0.40) ALDH1A1MEN1KMT2AGSK3AGSK3B
SCHEMBL11147165 0.77 KMT2A (0.46) ALDH1A1MEN1KMT2AGAATSHR
SCHEMBL11143150 0.76 MEN1 (0.45) ALDH1A1MEN1KMT2AGAATSHR
SCHEMBL11155555 0.76 GRM5 (0.46) ALDH1A1MEN1KMT2AGAATSHR
SCHEMBL11143146 0.76 MEN1 (0.45) ALDH1A1MEN1KMT2AGAATSHR
SCHEMBL11149198 0.76 KMT2A (0.45) ALDH1A1MEN1KMT2AGAATSHR
SCHEMBL11155554 0.76 GRM5 (0.46) ALDH1A1MEN1KMT2AGAATSHR
SCHEMBL5705022 0.72 — —
SCHEMBL11144521 0.72 GRM5 (0.42) ALDH1A1MEN1KMT2AGAASMN1; SMN2

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-9497970-B2 Pesticide compounds BASF SE (DE) 2016-11-22 — — US disclosed
US-20160157491-A1 Pesticide Compounds BASF SE (DE) 2016-06-09 — — 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 (1 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-20160157491-A1 Pesticide Compounds C1R, C1S, CBR3 ALDH1A1 2336/4885MEN1 2439/4885KMT2A 3706/4885

“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.

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