SCHEMBL16792069

SCHEMBL16792069

Cc1[nH]c2c(-c3ccccc3)cnn2c(=O)c1CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALKBH3 Q96Q83 1/20 0.43
▸ KDM4E B2RXH2 5/20 0.43
▸ MAPT P10636 4/20 0.43
▸ GAA P10253 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ PLAT P00750 1/20 0.41
▸ PTGDR2 Q9Y5Y4 1/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ NFKB1 P19838 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ NFKB2 Q00653 2/20 0.39
▸ RELA Q04206 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ PIM1 P11309 1/20 0.38
▸ TP53 P04637 1/20 0.38

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
SCHEMBL13516070 0.77 ALKBH3 (0.48) ALKBH3KDM4EMAPTALDH1A1NPC1
SCHEMBL20818961 0.74 POLB (0.44) ALKBH3KDM4EMAPTGAAALDH1A1
SCHEMBL20913970 0.72 HSD17B10 (0.47) KDM4EMAPTALDH1A1CASP1CASP7
SCHEMBL20913985 0.71 PLAT (0.39) MAPTGAAL3MBTL1PLATNPC1
SCHEMBL16535221 0.71 KDM4E (0.31) KDM4EALDH1A1RAB9AHPGD
SCHEMBL20914416 0.70 BRD4 (0.39) KDM4EPLATNPC1MEN1KMT2A
SCHEMBL16535136 0.69 ROCK2 (0.37) —
SCHEMBL16535047 0.69 AURKA (0.46) KDM4EMAPTALDH1A1PLATNPC1
SCHEMBL18057659 0.69 TSHR (0.40) ALKBH3KDM4EMAPTGAAALDH1A1
SCHEMBL8205156 0.68 GAA (0.42) KDM4EMAPTGAAALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160375041-A1 INHIBITION OF ISOPRENOID BIOSYNTHETIC PATHWAYS TO TREAT AUTOIMMUNE DISORDERS TABACZYNSKI DAVID A (US) 2016-12-29 — — US disclosed
US-20160303146-A1 INHIBITION OF ISOPRENOID BIOSYNTHETIC PATHWAYS TO TREAT NEUROINFLAMMATORY DISORDERS TABACZYNSKI DAVID A (US) 2016-10-20 — — US disclosed
WO-2015089349-A1 INHIBITION OF ISOPRENOID BIOSYNTHETIC PATHWAYS TO TREAT NEUROINFLAMMATORY DISORDERS TABACZYNSKI DAVID A (US) 2015-06-18 — — WO disclosed
WO-2015084721-A1 INHIBITION OF ISOPRENOID BIOSYNTHETIC PATHWAYS TO TREAT AUTOIMMUNE DISORDERS TABACZYNSKI DAVID A (US) 2015-06-11 — — WO 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-20160375041-A1 INHIBITION OF ISOPRENOID BIOSYNTHETIC PATHWAYS TO TREAT AUTOIMMUNE DISORDERS GGPS1, FDPS, COASY ALKBH3 2496/4885KDM4E 2517/4885MAPT 3581/4885
US-20160303146-A1 INHIBITION OF ISOPRENOID BIOSYNTHETIC PATHWAYS TO TREAT NEUROINFLAMMATORY DISORDERS GGPS1, FDPS, COASY ALKBH3 3032/4885KDM4E 3900/4885MAPT 848/4885

“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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