SCHEMBL2897266

SCHEMBL2897266

CC(C)OC(=O)c1cnc(C(C)c2ccccc2)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MMP2 P08253 2/20 0.46
▸ MMP1 P03956 1/20 0.46
▸ MMP9 P14780 1/20 0.46
▸ MMP12 P39900 1/20 0.46
▸ PDCD1 Q15116 1/20 0.41
▸ CD274 Q9NZQ7 1/20 0.41
▸ GABRA1 P14867 3/20 0.39
▸ GABRA2 P47869 2/20 0.39
▸ GABRG2 P18507 1/20 0.39
▸ GABRB3 P28472 1/20 0.39
▸ GABRA5 P31644 1/20 0.39
▸ GABRA3 P34903 1/20 0.39
▸ GABRA4 P48169 1/20 0.39
▸ GABRA6 Q16445 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.37
▸ HPGD P15428 1/20 0.37

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
SCHEMBL2902418 0.84 PIN1 (0.50) KDM4EMMP2MMP1MMP9ALDH1A1
SCHEMBL13368245 0.82 LMNA (0.46) LMNAKDM4EMMP2MMP1MMP9
SCHEMBL2894057 0.81 MMP2 (0.41) LMNAMMP2MMP1MMP9MMP12
Sulfuric Acid SCHEMBL11728620 0.78 PIN1 (0.44) LMNAKDM4EMMP2MMP1MMP9
SCHEMBL1083036 0.77 GABRA1 (0.55) LMNAMMP2MMP1MMP9MMP12
SCHEMBL8653202 0.76 MMP2 (0.47) LMNAKDM4ETP53L3MBTL1MMP2
SCHEMBL2894225 0.74 MMP2 (0.44) LMNATP53MMP2ALDH1A1CA1
SCHEMBL24283705 0.71 MMP2 (0.46) LMNAKDM4ETP53L3MBTL1MMP2
SCHEMBL21298714 0.71 KDM4E (0.46) LMNAKDM4ETP53L3MBTL1MMP2
SCHEMBL21298710 0.71 MMP2 (0.46) LMNAKDM4ETP53L3MBTL1MMP2

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
US-20100130446-A1 NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAS COMPANY LIMITED (JP) 2010-05-27 — — US claimed
EP-2149550-A1 NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-02-03 — — EP claimed
US-8318746-B2 Nitrogen-containing five-membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-27 — — US disclosed
US-8318746-B2 Nitrogen-containing five-membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-27 — — US disclosed
US-20100130446-A1 NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAS COMPANY LIMITED (JP) 2010-05-27 — — US disclosed
US-20100130446-A1 NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAS COMPANY LIMITED (JP) 2010-05-27 — — US disclosed
EP-2149550-A1 NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-02-03 — — EP 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-20100130446-A1 NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND GCKR, GCK, SLC5A1 LMNA 4332/4885KDM4E 564/4885TP53 3349/4885

“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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