SCHEMBL4182429

SCHEMBL4182429

NC(=O)c1cccc(Cc2ccc(Cl)cc2)c1I

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ TSHR P16473 2/20 0.41
▸ CD38 P28907 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ AGTR1 P30556 1/20 0.40
▸ ADRA1D P25100 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ MAPK8 P45983 1/20 0.40
▸ SIRT2 Q8IXJ6 1/20 0.39
▸ PARP1 P09874 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ PARP2 Q9UGN5 1/20 0.39

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
SCHEMBL4185940 0.88 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL3461077 0.85 TSHR (0.51) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL28185434 0.85 PLA2G2A (0.49) TSHRADRA1DSIRT2PARP1
SCHEMBL28053290 0.84 TSHR (0.41) ALDH1A1KDM4EHPGDTSHRMAPT
SCHEMBL30029537 0.77 RPS6KB1 (0.43) LMNAMAPK8SIRT2PARP1
SCHEMBL7781040 0.75 TSHR (0.51) ALDH1A1TSHRMAPTCYP2C9CYP2C19
SCHEMBL11464001 0.75 TSHR (0.54) ALDH1A1HPGDHSD17B10TSHRMEN1
SCHEMBL21357052 0.74 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL4905340 0.73 TSHR (0.72) ALDH1A1HPGDHSD17B10TSHRMEN1
SCHEMBL4844133 0.73 TSHR (0.53) ALDH1A1TSHRMAPTCYP2C9CYP2C19

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-20090197836-A1 Combination of FBPase Inhibitors and Antidiabetic Agents Useful for the Treatment of Diabetes VAN POELJE PAUL D 2009-08-06 — — US disclosed
EP-1372660-A2 A COMBINATION OF FBPASE INHIBITORS AND ANTIDIABETIC AGENTS USEFUL FOR THE TREATMENT OF DIABETES Metabasis Therapeutics, Inc. (US) 2004-01-02 — — EP disclosed
WO-2002003978-A2 A COMBINATION OF FBPase INHIBITORS AND ANTIDIABETIC AGENTS USEFUL FOR THE TREATMENT OF DIABETES METABASIS THERAPEUTICS, INC. (US) 2002-01-17 — — 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 (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-20090197836-A1 Combination of FBPase Inhibitors and Antidiabetic Agents Useful for the Treatment of Diabetes FBP1, ALDOA, G6PC1 ALDH1A1 2627/4885KDM4E 4052/4885HPGD 1298/4885

“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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