SCHEMBL720609

SCHEMBL720609

C=CCOC(=O)CN=C=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 1/20 0.39
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL27745762 0.82 TSHR (0.41) TSHRTDP1PKMSMN1; SMN2CYP3A4
SCHEMBL10816577 0.80 CYP3A4 (0.32) TSHRCYP3A4MAPTCACNA1BAPBA1
SCHEMBL4751050 0.78 TSHR (0.53) TSHRTDP1PKMSMN1; SMN2CYP3A4
SCHEMBL18432679 0.76 TSHR (0.52) TSHRSMN1; SMN2CYP3A4ALDH1A1HSD17B10
SCHEMBL11586550 0.75 TSHR (0.58) TSHRTDP1PKMSMN1; SMN2CYP3A4
SCHEMBL11586710 0.75 TSHR (0.58) TSHRTDP1PKMSMN1; SMN2CYP3A4
SCHEMBL10451043 0.75 TSHR (0.58) TSHRTDP1PKMSMN1; SMN2CYP3A4
SCHEMBL28233804 0.75
SCHEMBL48624 0.72
Benzene SCHEMBL28123622 0.72 NPSR1 (0.43) TSHRTDP1PKMSMN1; SMN2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10591497-B2 Immunoassay for synthetic cannabinoids of the adamantyl indazole/indole-3-carboxamide family RANDOX LABORATORIES LTD. (GB) 2020-03-17 US disclosed
EP-2950103-B1 IMMUNOASSAY FOR SYNTHETIC CANNABINOIDS OF THE 3-ADAMANTANYL INDAZOLE/INDOLE-3-CARBOXAMIDE FAMILY RANDOX LABORATORIES LTD (GB) 2018-10-17 EP disclosed
US-20150346227-A1 IMMUNOASSAY FOR SYNTHETIC CANNABINOIDS OF THE ADAMANTYL INDAZOLE/INDOLE-3-CARBOXAMIDE FAMILY NORTHERN BANK LIMITED (IE) 2015-12-03 US disclosed
EP-2950103-A1 IMMUNOASSAY FOR SYNTHETIC CANNABINOIDS OF THE 3-ADAMANTANYL INDAZOLE/INDOLE-3-CARBOXAMIDE FAMILY Randox Laboratories Ltd. (GB) 2015-12-02 EP disclosed
US-8796324-B2 Substituted 2-acetamido-5-aryl-1,2,4-triazolones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-05 US disclosed
US-20120238607-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-09-20 US disclosed
US-8202895-B2 Substituted 2-acetamido-5-aryl-1,2,4-triazolones and use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-19 US disclosed
US-20120053218-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN-RECEPTOR INHIBITORS FOR TREATING CARDIAC INSUFFICIENCY BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-01 US disclosed
EP-1362067-B1 DURABLE REFINISH COATING BASF CORP (US) 2011-03-30 EP disclosed
US-20100261771-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-10-14 US disclosed
WO-2002050199-A2 COATING BASF CORPORATION, PLEASE SEE GENERAL APPOINTMENT OF REPRESENTATIVE (US) 2002-06-27 WO disclosed
EP-0718290-B1 Carboxyalkyl heterocyclic derivatives NIPPON ZOKI PHARMACEUTICAL CO (JP) 2002-04-17 EP disclosed
EP-1141149-A1 COATING COMPOSITIONS CONTAINING MODIFIED CARBAMATE-FUNCTIONAL POLYACRYLIC BINDERS Basf Corporation (US) 2001-10-10 EP disclosed
US-6106951-A CONVERTING HYDROXYL GROUPS OF ACRYLIC RESIN INTO NEW GROUPS; COMBINING WITH AMINOPLAST CROSSLINKER TO FORM COATING MIXTURE; APPLYING COATING MIXTURE TO SUBSTRATE AND CURING TO PRODUCE CURED COATING BASF CORPORATION (US) 2000-08-22 US disclosed
WO-2000031195-A1 COATING COMPOSITIONS CONTAINING MODIFIED CARBAMATE-FUNCTIONAL POLYACRYLIC BINDERS BASF CORPORATION (US) 2000-06-02 WO disclosed
US-5912261-A ANTIDIABETIC AGENTS NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 1999-06-15 US disclosed
EP-0718290-A1 Carboxyalkyl heterocyclic derivatives NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 1996-06-26 EP disclosed
US-5304479-A Phencyclidine compounds and assays for its determination DIAGNOSTIC REAGENTS, INC. (US) 1994-04-19 US disclosed
EP-0094776-B1 NOVEL PROCESS FOR THE PREPARATION OF BIOTIN PFIZER INC. (US) 1988-06-22 EP disclosed
EP-0094776-A2 Novel process for the preparation of biotin PFIZER INC. (US) 1983-11-23 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 (5 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-20120238607-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF AADAC, NAT1, TNNT2 TSHR 2591/4885TDP1 1724/4885PKM 279/4885
US-20120053218-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN-RECEPTOR INHIBITORS FOR TREATING CARDIAC INSUFFICIENCY AVPR2, AVPR1B, AVPR1A TSHR 78/4885TDP1 1637/4885PKM 707/4885
US-20100261771-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF AADAC, NAT1, TNNT2 TSHR 2591/4885TDP1 1724/4885PKM 279/4885
US-20150346227-A1 IMMUNOASSAY FOR SYNTHETIC CANNABINOIDS OF THE ADAMANTYL INDAZOLE/INDOLE-3-CARBOXAMIDE FAMILY CNR2, CNR1, IDO1 TSHR 1266/4885TDP1 3525/4885PKM 4870/4885
US-10591497-B2 Immunoassay for synthetic cannabinoids of the adamantyl indazole/indole-3-carboxamide family CNR2, CNR1, IDO1 TSHR 1266/4885TDP1 3525/4885PKM 4870/4885

“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.