SCHEMBL3101067

SCHEMBL3101067

CCOC(=O)c1cnn(Cc2ccc(Cl)nc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.51
▸ MAPT P10636 3/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ GRM2 Q14416 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.46
▸ HSD17B10 Q99714 1/20 0.44
▸ DGAT1 O75907 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ LMNA P02545 3/20 0.43
▸ POLB P06746 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ KLKB1 P03952 1/20 0.42
▸ PLA2G1B P04054 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42

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
SCHEMBL3092869 0.87 HSD17B10 (0.51) MAPTRAB9AL3MBTL1GRM2KDM4E
SCHEMBL1909166 0.87 GRM2 (0.53) KMT2AGRM2KDM4EHSD17B10MEN1
SCHEMBL2821953 0.86 LMNA (0.54) MAPTRAB9AGRM2HSD17B10ALDH1A1
SCHEMBL28595790 0.86 ESR1 (0.55) KMT2AGRM2KDM4EHSD17B10MEN1
SCHEMBL18795048 0.85 GRM2 (0.55) MAPTGRM2HSD17B10ALDH1A1LMNA
SCHEMBL553801 0.85 GRM2 (0.53) L3MBTL1GRM2KDM4EHSD17B10ALDH1A1
SCHEMBL554548 0.85 GRM2 (0.51) KMT2AGRM2KDM4EHSD17B10MEN1
SCHEMBL16246754 0.85 KLKB1 (0.57) GRM2HSD17B10ALDH1A1LMNAKLKB1
SCHEMBL24236700 0.84 GRM2 (0.47) MAPTL3MBTL1GRM2HSD17B10ALDH1A1
SCHEMBL3093449 0.84 GRM2 (0.63) KMT2AMAPTRAB9AGRM2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2172450-B9 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2014-10-08 — — EP disclosed
EP-2172450-B1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2013-10-16 — — EP disclosed
US-8461209-B2 Malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-06-11 — — US disclosed
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-09 — — US disclosed
EP-2172450-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-04-07 — — 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-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF REN, AGTR2, AGTR1 KMT2A 1948/4885MAPT 2813/4885RAB9A 826/4885

“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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