SCHEMBL3080079

SCHEMBL3080079

Fc1ccc(NC2CCCCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
EPHX1 P07099 1/20 0.56
MAPT P10636 2/20 0.52
LMNA P02545 2/20 0.52
POLB P06746 1/20 0.52
GAA P10253 1/20 0.52
HTR2A P28223 3/20 0.51
HTR2C P28335 2/20 0.51
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
APAF1 O14727 1/20 0.47
MAPK1 P28482 1/20 0.47
BLM P54132 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MERTK Q12866 1/20 0.47
TRPA1 O75762 2/20 0.46

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
SCHEMBL7837054 1.00 NPC1 (0.56) NPC1RAB9AEPHX1MAPTLMNA
SCHEMBL1566071 0.98 MAPT (0.53) NPC1RAB9AEPHX1MAPTLMNA
SCHEMBL5584012 0.89 ALOX12 (0.50) NPC1RAB9AEPHX1MAPTLMNA
SCHEMBL539395 0.89 DDB1 (0.46) NPC1RAB9AEPHX1MAPTLMNA
SCHEMBL78145 0.89 MAPT (0.61) NPC1RAB9AEPHX1MAPTLMNA
SCHEMBL3400048 0.89 MAPT (0.61) NPC1RAB9AEPHX1MAPTLMNA
SCHEMBL11526941 0.89 MAPT (0.61) NPC1RAB9AEPHX1MAPTLMNA
Hydrochloric Acid SCHEMBL1918398 0.86 DDB1 (0.44) NPC1RAB9AEPHX1MAPTLMNA
SCHEMBL11526739 0.86 MAPT (0.63) NPC1RAB9AMAPTLMNAPOLB
SCHEMBL9934529 0.82 MAPT (0.55) RAB9AMAPTLMNAPOLBGAA

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 18 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-1966225-B1 TRANSITION METAL COMPLEXES AND PREPARATION METHODS THEREOF LG CHEMICAL LTD (KR) 2013-12-25 EP disclosed
EP-2172450-B1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2013-10-16 EP disclosed
EP-1966223-B1 CATALYST COMPOSITION COMPRISING GROUP 4 TRANSITION METAL COMPLEXES AND METHOD FOR PREPARING POLYOLEFINS USING THE SAME LG CHEMICAL LTD (KR) 2013-08-14 EP disclosed
US-8461209-B2 Malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-06-11 US disclosed
CN-102558245-A Catalyst composition comprising group 4 transition metal complexes and method for preparing polyolefins using the same LG CHEMICAL LTD 2012-07-11 CN disclosed
US-7807762-B2 Catalyst composition comprising Group 4 transition metal complexes and method for preparing polyolefins using the same LG CHEM, LTD. (KR) 2010-10-05 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
US-7678933-B2 Transition metal complexes and preparation methods thereof LG CHEM, LTD. (KR) 2010-03-16 US disclosed
US-20090030221-A1 Transition Metal Complexes and Preparation Methods Thereof LG CHEM, LTD (KR) 2009-01-29 US disclosed
US-20090005525-A1 Catalyst Composition Comprising Group 4 Transition Metal Complexes and Method for Preparing Polyolefins Using the Same LG CHEM , LTD. (KR) 2009-01-01 US disclosed
CN-101300261-A Catalyst composition comprising group 4 transition metal complexes and method for preparing polyolefins using the same LG CHEMICAL LTD (KR) 2008-11-05 CN disclosed
CN-101296932-A Transition metal complex and preparation method thereof LG CHEMICAL LTD (KR) 2008-10-29 CN disclosed
EP-1966223-A1 CATALYST COMPOSITION COMPRISING GROUP 4 TRANSITION METAL COMPLEXES AND METHOD FOR PREPARING POLYOLEFINS USING THE SAME LG Chem. Ltd. (KR) 2008-09-10 EP disclosed
EP-1966225-A1 TRANSITION METAL COMPLEXES AND PREPARATION METHODS THEREOF LG Chem, Ltd. (KR) 2008-09-10 EP disclosed
WO-2007078134-A1 TRANSITION METAL COMPLEXES AND PREPARATION METHODS THEREOF LG CHEM. LTD. (KR) 2007-07-12 WO disclosed
WO-2007078133-A1 CATALYST COMPOSITION COMPRISING GROUP 4 TRANSITION METAL COMPLEXES AND METHOD FOR PREPARING POLYOLEFINS USING THE SAME LG CHEM. LTD. (KR) 2007-07-12 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-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF REN, AGTR2, AGTR1 NPC1 3306/4885RAB9A 826/4885EPHX1 2167/4885
US-20090030221-A1 Transition Metal Complexes and Preparation Methods Thereof PICALM, TEC, PPIP5K2 NPC1 2837/4885RAB9A 2078/4885EPHX1 3234/4885

“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.