SCHEMBL2411096

SCHEMBL2411096

CCOC(=O)c1cnn(-c2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.62
ALKBH2 Q6NS38 1/20 0.62
RAB9A P51151 7/20 0.60
NPC1 O15118 6/20 0.60
MAPT P10636 5/20 0.54
ALDH1A1 P00352 5/20 0.54
GAA P10253 2/20 0.54
PTGDR2 Q9Y5Y4 3/20 0.54
HPGD P15428 3/20 0.52
HTT P42858 2/20 0.52
NFKB1 P19838 2/20 0.52
NFKB2 Q00653 2/20 0.52
RELA Q04206 2/20 0.52
NPSR1 Q6W5P4 2/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
GLA P06280 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL31420340 0.89 HPGDS (0.55) HPGDSALKBH2RAB9ANPC1ALDH1A1
SCHEMBL20300504 0.88 RAB9A (0.57) HPGDSALKBH2RAB9ANPC1MAPT
SCHEMBL12571565 0.87 MAPK1 (0.49) HPGDSALKBH2RAB9ANPC1MAPT
SCHEMBL16799801 0.87 HPGDS (0.54) HPGDSALKBH2RAB9ANPC1MAPT
SCHEMBL30254457 0.86 NPC1 (0.52) HPGDSALKBH2RAB9ANPC1MAPT
SCHEMBL2120910 0.86 NPC1 (0.52) HPGDSALKBH2RAB9ANPC1MAPT
SCHEMBL24303776 0.86 PTGDR2 (0.52) RAB9ANPC1MAPTALDH1A1PTGDR2
SCHEMBL1194458 0.86 NPC1 (0.59) HPGDSALKBH2RAB9ANPC1MAPT
SCHEMBL4447424 0.86 LMNA (0.58) HPGDSALKBH2RAB9ANPC1MAPT
SCHEMBL8341099 0.86 NPC1 (0.59) RAB9ANPC1MAPTPTGDR2NFKB1

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9802980-B2 Method for producing pyrazoles, novel pyrazoles and applications thereof COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-10-31 US disclosed
US-9802980-B2 Method for producing pyrazoles, novel pyrazoles and applications thereof COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-10-31 US disclosed
US-9802980-B2 Method for producing pyrazoles, novel pyrazoles and applications thereof COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-10-31 US disclosed
US-20150368295-A1 METHOD FOR PRODUCING PYRAZOLES, NOVEL PYRAZOLES AND APPLICATIONS THEREOF COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2015-12-24 US disclosed
US-20150368295-A1 METHOD FOR PRODUCING PYRAZOLES, NOVEL PYRAZOLES AND APPLICATIONS THEREOF COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2015-12-24 US disclosed
US-20150368295-A1 METHOD FOR PRODUCING PYRAZOLES, NOVEL PYRAZOLES AND APPLICATIONS THEREOF COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2015-12-24 US disclosed
EP-2953935-A2 METHOD FOR PRODUCING PYRAZOLES, NOVEL PYRAZOLES AND APPLICATIONS THEREOF Commissariat à l'Énergie Atomique et aux Énergies Alternatives (FR) 2015-12-16 EP disclosed
US-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
US-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
WO-2014122407-A2 METHOD FOR PRODUCING PYRAZOLES, NOVEL PYRAZOLES AND APPLICATIONS THEREOF COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2014-08-14 WO disclosed
EP-1678181-B1 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS INC (US) 2008-12-31 EP disclosed
US-7449473-B2 Substituted pyrrolo[3,2-d]pyrimidin-2,4-diones as A2b adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2008-11-11 US disclosed
US-20080167307-A1 Carboxylic Acid Derivative Containing Thiazole Ring and Pharmaceutical Use Thereof MITSUBISHI PHAMA CORPORATION (JP) 2008-07-10 US disclosed
US-20080167307-A1 Carboxylic Acid Derivative Containing Thiazole Ring and Pharmaceutical Use Thereof MITSUBISHI PHAMA CORPORATION (JP) 2008-07-10 US disclosed
EP-1816128-A1 CARBOXYLIC ACID DERIVATIVE CONTAINING THIAZOLE RING AND PHARMACEUTICAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2007-08-08 EP disclosed
EP-1816128-A1 CARBOXYLIC ACID DERIVATIVE CONTAINING THIAZOLE RING AND PHARMACEUTICAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2007-08-08 EP disclosed
EP-1678181-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2006-07-12 EP disclosed
US-20050119287-A1 A2B adenosine receptor antagonists GILEAD PALO ALTO, INC. 2005-06-02 US disclosed
WO-2005042534-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2005-05-12 WO disclosed
US-4220792-A ANTIDIABETIC AGENTS SANDOZ, INC. (US) 1980-09-02 US 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 (3 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-20080167307-A1 Carboxylic Acid Derivative Containing Thiazole Ring and Pharmaceutical Use Thereof PPARA, PPARD, PPARG HPGDS 1574/4885ALKBH2 4376/4885RAB9A 2891/4885
US-20050119287-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA3 HPGDS 601/4885ALKBH2 672/4885RAB9A 2087/4885
US-20150368295-A1 METHOD FOR PRODUCING PYRAZOLES, NOVEL PYRAZOLES AND APPLICATIONS THEREOF NDUFS7, NDUFS3, UQCRB HPGDS 3506/4885ALKBH2 2982/4885RAB9A 1379/4885

“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.