SCHEMBL4185940

SCHEMBL4185940

NC(=O)c1cccc(CCc2ccc(Cl)cc2)c1I

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ SIRT2 Q8IXJ6 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ MAPT P10636 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CD38 P28907 1/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ AGTR1 P30556 1/20 0.39
▸ ADRA1D P25100 1/20 0.39
▸ HTR3E A5X5Y0 1/20 0.38
▸ HTR3B O95264 1/20 0.38
▸ HTR3A P46098 1/20 0.38
▸ HTR3D Q70Z44 1/20 0.38
▸ HTR3C Q8WXA8 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 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
SCHEMBL4182429 0.88 ALDH1A1 (0.45) ALDH1A1LMNASIRT2KDM4EHPGD
SCHEMBL28185408 0.86 SIRT2 (0.50) ALDH1A1LMNASIRT2KDM4EHPGD
SCHEMBL21357052 0.84 ALDH1A1 (0.61) ALDH1A1LMNASIRT2KDM4EHPGD
SCHEMBL3461077 0.73 TSHR (0.51) ALDH1A1LMNAKDM4EHPGDHSD17B10
SCHEMBL6387117 0.73 ALDH1A1 (0.67) ALDH1A1LMNAMAPTTSHRKMT2A
SCHEMBL28185434 0.73 PLA2G2A (0.49) SIRT2TSHRADRA1D
SCHEMBL28053290 0.73 TSHR (0.41) ALDH1A1SIRT2KDM4EHPGDMAPT
SCHEMBL27486058 0.71 KDM4E (0.52) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL940131 0.71 ALDH1A1 (0.60) ALDH1A1LMNASIRT2KDM4EMAPT
SCHEMBL5723969 0.70 CYP19A1 (0.50) ALDH1A1LMNASIRT2KDM4EHPGD

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 2627/4885LMNA 4420/4885SIRT2 860/4885

“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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