SCHEMBL432329

SCHEMBL432329

COC(=O)CCCCCNC(C(C)=O)C(C)(C)SC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.42
▸ KIF11 P52732 4/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ PTPRC P08575 2/20 0.35
▸ PTPN13 Q12923 1/20 0.35
▸ CA12 O43570 1/20 0.34
▸ CA7 P43166 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ CA14 Q9ULX7 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ LTB4R Q15722 1/20 0.34
▸ HPGD P15428 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
SCHEMBL431472 0.90 CDC25A (0.39) LMNAKIF11ALDH1A1KDM4ETDP1
SCHEMBL431474 0.77 CYP2C19 (0.38) KIF11
SCHEMBL432334 0.77 CYP2C19 (0.38) KIF11
SCHEMBL13469291 0.70 KIF11 (0.48) LMNAKIF11ALDH1A1MEN1RAB9A
SCHEMBL19454902 0.69 CNR1 (0.54) LMNAALDH1A1KDM4EPTPRCPTPN13
SCHEMBL10315011 0.69 KIF11 (0.49) LMNAKIF11ALDH1A1MEN1RAB9A
SCHEMBL10387238 0.67 CNR1 (0.55) LMNAALDH1A1KDM4EPTPRCKMT2A
SCHEMBL4545013 0.65 CNR1 (0.50) LMNAALDH1A1KDM4ECA12CA7
SCHEMBL13523659 0.65 KIF11 (0.51) KIF11
SCHEMBL431461 0.65 KIF11 (0.46) KIF11KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065367-A1 Radioactively Labeled Substance NATIONAL UNIVERSITY CORPORATION CHIBA UNIVERSITY (JP) 2012-03-15 — — 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-20120065367-A1 Radioactively Labeled Substance KIT, ABCG2, TK1 LMNA 3375/4885KIF11 2671/4885ALDH1A1 2232/4885

“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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