SCHEMBL176267

SCHEMBL176267

CCCCCC1=NC(=O)N=N1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.33
BACE1 P56817 1/20 0.33
GPR84 Q9NQS5 9/20 0.33
KCNH2 Q12809 1/20 0.32
TYMP P19971 3/20 0.32
MAPT P10636 2/20 0.31
ALDH1A1 P00352 1/20 0.31
THRB P10828 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL7397359 0.93 DAO (0.31)
SCHEMBL21144513 0.77 ALDH1A1 (0.40) ACHEKCNH2ALDH1A1THRBKMT2A
SCHEMBL10781823 0.77 ALDH1A1 (0.40) ACHEKCNH2ALDH1A1THRBKMT2A
SCHEMBL9400047 0.70 GPR84 (0.38) ACHEBACE1GPR84KCNH2TYMP
SCHEMBL5144274 0.68 GPR84 (0.34) ACHEBACE1GPR84KCNH2TYMP
SCHEMBL5601709 0.64 KCNH2 (0.35) ACHEGPR84KCNH2ALDH1A1TDP1
SCHEMBL725721 0.61 TYMP (0.47) ACHEBACE1GPR84TYMPMAPT
Hexane SCHEMBL1134655 0.59
Hexane SCHEMBL28456468 0.59 TSHR (0.78) ALDH1A1THRBKMT2A
Hexane SCHEMBL584921 0.59

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-63170313-A None JP disclosed
JP-63170312-A None JP disclosed
US-9687476-B2 Bisaryl-bonded aryltriazolones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-06-27 US disclosed
EP-2539326-B1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER IP GMBH (DE) 2017-05-03 EP disclosed
US-20160051518-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-25 US disclosed
US-9187466-B2 Bisaryl-bonded aryltriazolones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-17 US disclosed
EP-2619188-B1 SUBSTITUTED N-PHENETHYLTRIAZOLONEACETAMIDES AND USE THEREOF BAYER IP GMBH (DE) 2015-05-06 EP disclosed
EP-2619188-A1 SUBSTITUTED N-PHENETHYLTRIAZOLONEACETAMIDES AND USE THEREOF Bayer Intellectual Property GmbH (DE) 2013-07-31 EP disclosed
US-20130190330-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-25 US disclosed
EP-2539326-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF Bayer Intellectual Property GmbH (DE) 2013-01-02 EP disclosed
EP-0273310-A3 5-ARYL-3H-1,2,4-TRIAZOL-3-ONES AND THEIR USE AS ANTICONVULSANTS MERRELL PHARMACEUTICALS INC. (US) 1991-01-09 EP disclosed
EP-0273309-A3 5-ARYL-3H-1,2,4-TRIAZOL-3-ONES AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISORDERS MERRELL DOW PHARMACEUTICALS INC. (US) 1991-01-09 EP disclosed
JP-S63170312-A USE OF 5-ARYL-3H-1,2,4-TRIAZOL-3-ONES FOR NEUROTIC DEGENERATION LESION MERRELL DOW PHARMA 1988-07-14 JP disclosed
JP-S63170313-A ANTISPASMODIC USE OF 5-ARYL-3H-1,2,4-TRIAZOL- 3-ONES MERRELL DOW PHARMA 1988-07-14 JP disclosed
EP-0273309-A2 5-Aryl-3H-1,2,4-triazol-3-ones and their use in the treatment of neurodegenerative disorders MERRELL DOW PHARMACEUTICALS INC. (US) 1988-07-06 EP disclosed
EP-0273309-A2 5-Aryl-3H-1,2,4-triazol-3-ones and their use in the treatment of neurodegenerative disorders MERRELL DOW PHARMACEUTICALS INC. (US) 1988-07-06 EP disclosed
EP-0273309-A2 5-Aryl-3H-1,2,4-triazol-3-ones and their use in the treatment of neurodegenerative disorders MERRELL DOW PHARMACEUTICALS INC. (US) 1988-07-06 EP disclosed
EP-0273310-A2 5-Aryl-3H-1,2,4-triazol-3-ones and their use as anticonvulsants MERRELL PHARMACEUTICALS INC. (US) 1988-07-06 EP disclosed
EP-0273310-A2 5-Aryl-3H-1,2,4-triazol-3-ones and their use as anticonvulsants MERRELL PHARMACEUTICALS INC. (US) 1988-07-06 EP disclosed
EP-0273310-A2 5-Aryl-3H-1,2,4-triazol-3-ones and their use as anticonvulsants MERRELL PHARMACEUTICALS INC. (US) 1988-07-06 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 (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-20130190330-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF NAT1, AADAC, TNNI3 ACHE 2597/4885BACE1 1404/4885GPR84 3844/4885
US-20160051518-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF NAT1, AADAC, TNNI3 ACHE 2597/4885BACE1 1404/4885GPR84 3844/4885

“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.