SCHEMBL40649

SCHEMBL40649

O=CN(Cc1ccccc1)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
CA2 P00918 1/20 0.38
CES1 P23141 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
AOC3 Q16853 1/20 0.38
FDPS P14324 1/20 0.37
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
ADH7 P40394 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36

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
SCHEMBL3246613 0.81 TAAR1 (0.44) TDP1CES1NR1H2NR1H3MEN1
SCHEMBL10884978 0.80 MEN1 (0.49) ALDH1A1TSHRCYP2C19MEN1HTT
SCHEMBL81124 0.72 ALDH1A1 (0.44) ALDH1A1TSHRCYP2C19TDP1CA2
SCHEMBL3736957 0.72 ALDH1A1 (0.48) ALDH1A1TSHRCYP2C19CA2CES1
SCHEMBL26802 0.72 ALDH1A1 (0.48) ALDH1A1TSHRTDP1CA2MEN1
SCHEMBL28570283 0.72 ALDH1A1 (0.51) ALDH1A1TSHRTDP1CA2MEN1
Hydrochloric Acid SCHEMBL4483825 0.70 ALDH1A1 (0.46) ALDH1A1TSHRCYP2C19CA2CES1
SCHEMBL20740838 0.70 ALDH1A1 (0.46) ALDH1A1TSHRCYP2C19CA2CES1
Hydrochloric Acid SCHEMBL12006735 0.70 ALDH1A1 (0.50) ALDH1A1TSHRTDP1CA2MEN1
Iodide SCHEMBL29093986 0.70 ALDH1A1 (0.46) ALDH1A1TSHRCYP2C19CA2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 EP disclosed
US-20100076084-A1 Method of Treating Metabolic Disorders, Especially Diabetes, or a Disease or Condition Associated with Diabetes GATLIN MARJORIE REGAN 2010-03-25 US disclosed
US-20100029724-A1 SCREENING METHOD TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-02-04 US disclosed
EP-2039779-A1 SCREENING METHOD Takeda Pharmaceutical Company Limited (JP) 2009-03-25 EP disclosed
EP-2011507-A2 Pharmaceutical composition of nateglinide and another antidiabetic agent Novartis AG (CH) 2009-01-07 EP disclosed
US-20080287438-A1 Agent for preventing or treating neuropathy MOMOSE YU 2008-11-20 US disclosed
US-7423159-B2 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-09 US disclosed
US-20070275928-A1 METHOD OF TREATING METABOLIC DISORDERS, ESPECIALLY DIABETES, OR A DISEASE OR CONDITION ASSOCIATED WITH DIABETES GATLIN MARJORIE R 2007-11-29 US disclosed
US-7183276-B2 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-20060084690-A1 Isoxazole derivatives MOMOSE YU 2006-04-20 US disclosed
EP-1340749-A1 ISOXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-09-03 EP disclosed
US-20030162816-A1 Method of treating metabolic disorders, especially diabetes, or a disease or condition associated with diabetes GATLIN MARJORIE REGAN (US) 2003-08-28 US disclosed
US-6562849-B1 Amine compound or pharmacologically acceptable salt thereof. These compounds are useful in the treatment and/or prophylaxis of diseases such as diabetes, hyperlipemia, arteriosclerosis, cancer, etc. SANKYO COMPANY, LIMITED (JP) 2003-05-13 US disclosed
US-6559188-B1 Method of treating metabolic disorders especially diabetes, or a disease or condition associated with diabetes NOVARTIS AG (CH) 2003-05-06 US disclosed
US-20030078426-A1 Amine derivative compounds SANKYO COMPANY, LIMITED (JP) 2003-04-24 US disclosed
EP-1212077-A2 PHARMACEUTICAL COMPOSITION OF NATEGLINIDE AND ANOTHER ANTIDIABETIC AGENT Novartis AG (CH) 2002-06-12 EP disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP disclosed
WO-2001021159-A2 PHARMACEUTICAL COMPOSITION OF NATEGLINIDE AND ANOTHER ANTIDIABETCAGENT NOVARTIS AG (CH) 2001-03-29 WO disclosed
EP-0863881-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE IN THE PREVENTION AND/OR THE TREATMENT OF BONE DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-09-16 EP disclosed
WO-1997010219-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE IN THE PREVENTION AND/OR THE TREATMENT OF BONE DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-03-20 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 (7 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-20100029724-A1 SCREENING METHOD NR2C2, NCOR2, NCOA2 ALDH1A1 3177/4885TSHR 163/4885CYP2C19 1595/4885
US-20100076084-A1 Method of Treating Metabolic Disorders, Especially Diabetes, or a Disease or Condition Associated with Diabetes SLC2A2, TREH, GOT2 ALDH1A1 452/4885TSHR 354/4885CYP2C19 1674/4885
US-20070275928-A1 METHOD OF TREATING METABOLIC DISORDERS, ESPECIALLY DIABETES, OR A DISEASE OR CONDITION ASSOCIATED WITH DIABETES SLC2A2, TREH, GOT2 ALDH1A1 452/4885TSHR 354/4885CYP2C19 1674/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 ALDH1A1 2652/4885TSHR 1173/4885CYP2C19 2178/4885
US-20030162816-A1 Method of treating metabolic disorders, especially diabetes, or a disease or condition associated with diabetes SLC2A2, SLC2A1, PPARD ALDH1A1 214/4885TSHR 358/4885CYP2C19 2052/4885
US-20030078426-A1 Amine derivative compounds H1-10, APOB, PRMT1 ALDH1A1 874/4885TSHR 2306/4885CYP2C19 2422/4885
US-20060084690-A1 Isoxazole derivatives INSR, GPR119, INSRR ALDH1A1 1045/4885TSHR 534/4885CYP2C19 28/4885

“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.