SCHEMBL10216817

SCHEMBL10216817

CS(=O)(=O)NCC(N)c1ccccc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 1/20 0.41
▸ SLC22A12 Q96S37 1/20 0.40
▸ CNR2 P34972 2/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ GBA1 P04062 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ GRIA4 P48058 2/20 0.38
▸ MMP7 P09237 1/20 0.38
▸ ACP3 P15309 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ PER2 O15055 1/20 0.37
▸ CRY1 Q16526 1/20 0.37
▸ CRY2 Q49AN0 1/20 0.37
▸ FFAR4 Q5NUL3 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
Hydrochloric Acid SCHEMBL3446624 0.98 MC4R (0.40) MC4RSLC22A12CNR2KMT2AGAA
SCHEMBL10216809 0.87 GRIA4 (0.39) SLC22A12CNR2KMT2AGAAGBA1
Hydrochloric Acid SCHEMBL3448219 0.85 GRIA4 (0.39) SLC22A12CNR2KMT2AGAAGBA1
SCHEMBL27865868 0.83 CNR2 (0.42) MC4RCNR2GAAGRIA4MMP7
SCHEMBL10217217 0.80 ACP3 (0.40) MC4RSLC22A12CNR2KMT2AGAA
Hydrochloric Acid SCHEMBL19244847 0.78 ACP3 (0.39) SLC22A12CNR2KMT2AGAAL3MBTL1
SCHEMBL10217197 0.78 ADRB2 (0.41) MC4RGBA1L3MBTL1GRIA4CYP2D6
SCHEMBL3448694 0.78 CNR2 (0.46) MC4RCNR2MMP7ACP3CYP1A2
Hydrochloric Acid SCHEMBL19244813 0.77 BLM (0.41) MC4RGBA1L3MBTL1GRIA4CYP2D6
SCHEMBL382042 0.74 CNR2 (0.40) MC4RCNR2KMT2AL3MBTL1MMP7

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2408751-B1 Substituted 2-acetamido-5-aryl-1,2,4-triazolones and use thereof BAYER IP GMBH (DE) 2017-08-23 — — 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-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-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-8202895-B2 Substituted 2-acetamido-5-aryl-1,2,4-triazolones and use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-19 — — US 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
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-2010105770-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-09-23 — — 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 (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-20120238607-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF AADAC, NAT1, TNNT2 MC4R 1721/4885SLC22A12 3920/4885CNR2 1602/4885
US-20100261771-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF AADAC, NAT1, TNNT2 MC4R 1721/4885SLC22A12 3920/4885CNR2 1602/4885

“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.

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