SCHEMBL14031807

SCHEMBL14031807

CCC(=O)C(CCCCNC(=N)N)NC

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.37
▸ SIRT6 Q8N6T7 1/20 0.37
▸ SIRT1 Q96EB6 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ DPP7 Q9UHL4 2/20 0.35
▸ NPY4R P50391 6/20 0.35
▸ NPY1R P25929 5/20 0.35
▸ NPY2R P49146 4/20 0.35
▸ NPY5R Q15761 4/20 0.35
▸ GNAI3 P08754 1/20 0.34
▸ GNAO1 P09471 1/20 0.34
▸ GNAI1 P63096 1/20 0.34
▸ SPHK1 Q9NYA1 3/20 0.33
▸ FOLH1 Q04609 1/20 0.33
▸ RRM1 P23921 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
SCHEMBL19487474 0.85 NPY4R (0.36) ALOX15SIRT6SIRT1MEN1KMT2A
SCHEMBL18356744 0.84 ALOX15 (0.39) ALOX15SIRT6SIRT1MEN1KMT2A
SCHEMBL8663352 0.84 FOLH1 (0.43) ALOX15SIRT6SIRT1MEN1KMT2A
SCHEMBL19487472 0.84 ALOX15 (0.39) ALOX15SIRT6SIRT1MEN1KMT2A
SCHEMBL350358 0.84 FOLH1 (0.43) ALOX15SIRT6SIRT1MEN1KMT2A
SCHEMBL29888878 0.84 FOLH1 (0.43) ALOX15SIRT6SIRT1MEN1KMT2A
SCHEMBL24221401 0.83 NPY4R (0.37) ALOX15SIRT6SIRT1MEN1KMT2A
SCHEMBL1276063 0.83 NPY4R (0.37) ALOX15SIRT6SIRT1MEN1KMT2A
SCHEMBL24531192 0.83 ALOX15 (0.38) ALOX15SIRT6SIRT1MEN1KMT2A
SCHEMBL17641656 0.82 C3AR1 (0.36) SIRT6SIRT1MEN1KMT2ADPP7

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-20080242838-A1 LABELING REAGENT AND METHODS OF USE IRM LLC (BM) 2008-10-02 — — US disclosed
US-7371514-B2 Serial derivatization of peptides for de novo sequencing using tandem mass spectrometry AGILENT TECHNOLOGIES, INC. (US) 2008-05-13 — — 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-20080242838-A1 LABELING REAGENT AND METHODS OF USE PTMS, SRMS, DNPEP ALOX15 4342/4885SIRT6 1032/4885SIRT1 2689/4885

“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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