SCHEMBL14845337

SCHEMBL14845337

CC(=O)C(CCCNC(=N)N)NC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 15/20 0.38
▸ NPY1R P25929 9/20 0.38
▸ NPY5R Q15761 7/20 0.38
▸ NPY2R P49146 5/20 0.38
▸ ALOX15 P16050 1/20 0.34
▸ SIRT6 Q8N6T7 1/20 0.34
▸ SIRT1 Q96EB6 1/20 0.34
▸ SIRT5 Q9NXA8 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ GAA P10253 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
SCHEMBL27113590 0.92 NPY4R (0.41) NPY4RNPY1RNPY5RNPY2RALOX15
SCHEMBL27112906 0.90 NPY4R (0.44) NPY4RNPY1RNPY5RNPY2RSIRT6
SCHEMBL23690778 0.88 MEN1 (0.40) NPY4RNPY1RNPY5RNPY2RALOX15
SCHEMBL20221707 0.88 MEN1 (0.40) NPY4RNPY1RNPY5RNPY2RALOX15
SCHEMBL26880961 0.86 NPY4R (0.36) NPY4RNPY1RNPY5RNPY2RALOX15
SCHEMBL4572264 0.86 NPY4R (0.36) NPY4RNPY1RNPY5RNPY2RALOX15
SCHEMBL14012343 0.86 NPY4R (0.41) NPY4RNPY1RNPY5RNPY2RSIRT6
SCHEMBL27113592 0.85 NPY4R (0.47) NPY4RNPY1RNPY5RNPY2RSIRT5
SCHEMBL13863591 0.85 MEN1 (0.42) NPY4RNPY1RNPY5RNPY2RMEN1
SCHEMBL23841195 0.85 NPY4R (0.37) NPY4RNPY1RNPY5RNPY2RALOX15

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-20240066135-A1 DRUG CONJUGATES AND USES THEREOF SUPERTRANS MEDICAL LTD (IL) 2024-02-29 — — US disclosed
US-20180155762-A1 5,5-DISUBSTITUTED LUCIFERINS AND THEIR USE IN LUCIFERASE-BASED ASSAYS JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2018-06-07 — — US disclosed
US-8415277-B2 Bi-functional compound positively charged at first pH and negatively charged at second pH, solid support comprising the bi-functional compound, and method of isolating nucleic acid using the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2013-04-09 — — 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 (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-20180155762-A1 5,5-DISUBSTITUTED LUCIFERINS AND THEIR USE IN LUCIFERASE-BASED ASSAYS GLB1, LUC7L2, GUSB NPY4R 4428/4885NPY1R 4568/4885NPY5R 2691/4885
US-20240066135-A1 DRUG CONJUGATES AND USES THEREOF SLC7A1, ABCB11, SLC1A5 NPY4R 3178/4885NPY1R 3757/4885NPY5R 2907/4885

“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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