SCHEMBL709444

SCHEMBL709444

CCCN(C=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.44
ALOX15 P16050 1/20 0.41
ESR1 P03372 1/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.39
KCNA5 P22460 2/20 0.38
KCNN4 O15554 1/20 0.38
NPC1 O15118 1/20 0.38
JAK2 O60674 1/20 0.38
RAB9A P51151 1/20 0.38
PAX8 Q06710 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL489809 0.88 TDP1 (0.46) TP53ALOX15ESR1TSHRALDH1A1
SCHEMBL704307 0.86 NPC1 (0.49) TP53ALOX15ESR1NPC1JAK2
SCHEMBL3458582 0.84 NPC1 (0.51) TP53NPC1JAK2RAB9APAX8
SCHEMBL707050 0.84 NPC1 (0.51) TP53NPC1JAK2RAB9APAX8
SCHEMBL1685969 0.84 NPC1 (0.51) TP53NPC1JAK2RAB9APAX8
SCHEMBL16415141 0.84 NPC1 (0.51) TP53NPC1JAK2RAB9APAX8
SCHEMBL7651322 0.84 NPC1 (0.51) TP53NPC1JAK2RAB9APAX8
SCHEMBL16415177 0.84 NPC1 (0.51) TP53NPC1JAK2RAB9APAX8
SCHEMBL16414653 0.84 NPC1 (0.51) TP53NPC1JAK2RAB9APAX8
Chloromethane SCHEMBL7281088 0.84 NPC1 (0.44) TP53ALOX15ESR1ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2478981-B1 SILVER-(CONJUGATED COMPOUND) COMPLEX SUMITOMO CHEMICAL CO (JP) 2020-12-23 EP disclosed
EP-3390372-B1 BENZAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2020-06-03 EP disclosed
CN-104804048-B N substituted benzyl amino phosphine clamp ring ruthenium diphosphine compounds and its preparation method and application 洛阳师范学院 2017-09-22 CN disclosed
US-9704612-B2 Composition of silver-conjugated compound composite SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-07-11 US disclosed
EP-2841433-B1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL CO (JP) 2017-06-21 EP disclosed
US-9412487-B2 Silver-(conjugated compound) composite SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-08-09 US disclosed
US-9380782-B2 Tetrazolinone compounds and its use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-07-05 US disclosed
EP-2841433-A1 TETRAZOLINONE COMPOUNDS AND ITS USE Sumitomo Chemical Company Limited (JP) 2015-03-04 EP disclosed
US-20150031733-A1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-29 US disclosed
US-20140001422-A1 COMPOSITION OF SILVER-CONJUGATED COMPOUND COMPOSITE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-01-02 US disclosed
WO-1998037150-A1 TRIFLUOROMETHYL-SUBSTITUTED AZO DYES BASF AKTIENGESELLSCHAFT (DE) 1998-08-27 WO disclosed
EP-0837864-A1 NOVEL QUINOXALINE- AND QUINOXALINYLALKANE-PHOSPHONIC ACIDS Novartis AG (CH) 1998-04-29 EP disclosed
US-5688823-A ANTILIPEMIC AGENTS, ANTIGLYCEMIC AGENTS, OBESITY, GLUCOSE TOLERANCE INSUFFICIENCY, INSULIN RESISTANCE AND DIABETIC COMPLICATIONS SANKYO COMPANY, LIMITED (JP) 1997-11-18 US disclosed
WO-1997003079-A1 NOVEL QUINOXALINE- AND QUINOXALINYLALKANE-PHOSPHONIC ACIDS NOVARTIS AG (CH) 1997-01-30 WO disclosed
US-5578620-A TREATMENT OF DIABETES AND HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 1996-11-26 US disclosed
EP-0705834-A1 Quinoxaline-2,3-diones with an azaheterocyclic fused ring CIBA-GEIGY AG (CH) 1996-04-10 EP disclosed
EP-0705835-A1 Quinoxalic-2,3-diones with an oxa or thiaheterocyclic fused ring CIBA-GEIGY AG (CH) 1996-04-10 EP disclosed
EP-0678511-A2 Thiazolidine and oxazolidine derivatives, their preparation and their medical use SANKYO COMPANY LIMITED (JP) 1995-10-25 EP disclosed
EP-0172789-A2 Process for the sulfation of compounds containing a hydroxyethyl group CIBA-GEIGY AG (CH) 1986-02-26 EP disclosed
US-4157333-A CONDENSATION OF 1,2-METHYLENEDIOXYBENZENE WITH N-ALKYLOORMANILIDE, HYDROLYSIS MITSUI TOATSU CHEMICALS, INC. (JP) 1979-06-05 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 (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-20150031733-A1 TETRAZOLINONE COMPOUNDS AND ITS USE CBR3, CYP51A1, CYP8B1 TP53 4413/4885ALOX15 1685/4885ESR1 3429/4885

“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.