SCHEMBL3091005

SCHEMBL3091005

Fc1ccccc1Cn1cc(CCl)cn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.63
L3MBTL1 Q9Y468 4/20 0.63
MAPT P10636 3/20 0.63
PKM P14618 1/20 0.63
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SCD O00767 2/20 0.44
SCD5 Q86SK9 2/20 0.44
KLKB1 P03952 1/20 0.40
ALK Q9UM73 1/20 0.40
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
ADORA2B P29275 1/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 2/20 0.39
CYP19A1 P11511 1/20 0.39
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
ROCK2 O75116 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
SCHEMBL15014102 0.84 L3MBTL1 (0.63) ALDH1A1L3MBTL1MAPTPKMMEN1
SCHEMBL3085251 0.84 ALDH1A1 (0.63) ALDH1A1L3MBTL1MAPTPKMMEN1
SCHEMBL3091791 0.82 MAPT (0.43) ALDH1A1L3MBTL1MAPTPKMKLKB1
SCHEMBL13181128 0.82 ALDH1A1 (0.60) ALDH1A1L3MBTL1MAPTPKMMEN1
SCHEMBL7095280 0.81 ALDH1A1 (0.67) ALDH1A1L3MBTL1MAPTPKMMEN1
SCHEMBL13153145 0.81 ALDH1A1 (0.62) ALDH1A1L3MBTL1MAPTPKMMEN1
SCHEMBL2413457 0.80 L3MBTL1 (0.62) L3MBTL1ADORA2AADORA1CYP19A1
Hydrochloric Acid SCHEMBL3763491 0.78 L3MBTL1 (0.61) L3MBTL1MAPTADORA2AADORA1LMNA
SCHEMBL15544649 0.78 ALDH1A1 (0.67) ALDH1A1L3MBTL1MAPTPKMMEN1
SCHEMBL15520765 0.78 ALDH1A1 (1.00) ALDH1A1L3MBTL1MAPTPKMMEN1

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
EP-2172450-B9 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2014-10-08 EP disclosed
CN-101784520-B Novel malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORP 2014-07-02 CN 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
CN-101784520-A Novel malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORP 2010-07-21 CN 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 ALDH1A1 617/4885L3MBTL1 4273/4885MAPT 2813/4885

“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.