SCHEMBL3776648

SCHEMBL3776648

O=C(O)c1ccncc1SCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
CYP2C9 P11712 1/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
KDM4C Q9H3R0 11/20 0.52
KDM6B O15054 9/20 0.52
KDM4D Q6B0I6 6/20 0.52
KDM4A O75164 3/20 0.52
KDM4E B2RXH2 2/20 0.52
KDM5B Q9UGL1 2/20 0.49
HIF1AN Q9NWT6 1/20 0.49
KDM2A Q9Y2K7 1/20 0.49
EGLN3 Q9H6Z9 1/20 0.48
PTPRC P08575 1/20 0.48
PTPRG P23470 1/20 0.47
MAPT P10636 2/20 0.46
NPC1 O15118 1/20 0.46

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
SCHEMBL10469069 0.88 CA12 (0.57) ALDH1A1CYP2C9CA12CA1CA2
SCHEMBL3785010 0.85 KMT2A (0.50) ALDH1A1CYP2C9CA12CA1CA2
SCHEMBL3780022 0.84 L3MBTL1 (0.59) ALDH1A1CA12CA1CA2CA9
SCHEMBL9869016 0.83 FFAR1 (0.50) KDM4CKDM4EKDM5BMAPTNPC1
SCHEMBL4021020 0.83 KDR (0.60) ALDH1A1CYP2C9PTPRGMAPTNPC1
SCHEMBL1054122 0.82 ALDH1A1 (0.58) ALDH1A1CYP2C9PTPRGNPC1GAA
SCHEMBL28027193 0.80 CA12 (0.44) ALDH1A1CYP2C9CA12CA1CA2
SCHEMBL28027191 0.80 CA12 (0.44) ALDH1A1CYP2C9CA12CA1CA2
SCHEMBL1901284 0.80 PTPRG (0.67) ALDH1A1CYP2C9CA12CA1CA2
SCHEMBL4018089 0.79 CA12 (0.48) ALDH1A1CYP2C9CA12CA1CA2

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
WO-2010127795-A1 HERBICIDAL COMPOUNDS BASED ON N-AZINYL-N'-PYRIDYLSULFONYL UREAS BAYER CROPSCIENCE AG (DE) 2010-11-11 WO disclosed
WO-2010127795-A1 HERBICIDAL COMPOUNDS BASED ON N-AZINYL-N'-PYRIDYLSULFONYL UREAS BAYER CROPSCIENCE AG (DE) 2010-11-11 WO disclosed
US-20100279863-A1 HERBICIDAL COMPOUNDS BASED ON N-AZINYL-N'-PYRIDYLSULFONYLUREAS BAYER CROPSCIENCE AG (DE) 2010-11-04 US disclosed
US-20100279863-A1 HERBICIDAL COMPOUNDS BASED ON N-AZINYL-N'-PYRIDYLSULFONYLUREAS BAYER CROPSCIENCE AG (DE) 2010-11-04 US disclosed
US-20100279863-A1 HERBICIDAL COMPOUNDS BASED ON N-AZINYL-N'-PYRIDYLSULFONYLUREAS BAYER CROPSCIENCE AG (DE) 2010-11-04 US disclosed
EP-2245935-A1 Herbicide compounds based on N-Azinyl-N-pyridylsulfonyl-uric substances Bayer CropScience AG (DE) 2010-11-03 EP disclosed
EP-2245935-A1 Herbicide compounds based on N-Azinyl-N-pyridylsulfonyl-uric substances Bayer CropScience AG (DE) 2010-11-03 EP disclosed
US-5006532-A Enzyme inhibitor; antiinflammatory agents MERCK & CO. INC., INC. (US) 1991-04-09 US disclosed
US-4904672-A Derivatives of 3-hydroxyazabenzo[b]thiophene useful as 5-lipoxygenase inhibitors MERCK & CO., INC. (US) 1990-02-27 US disclosed
US-4767766-A Derivatives of 3-hydroxyazabenzo(B)thiophene useful as 5-lipoxygenase inhibitors MERCK & CO., INC. (US) 1988-08-30 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-20100279863-A1 HERBICIDAL COMPOUNDS BASED ON N-AZINYL-N'-PYRIDYLSULFONYLUREAS DDT, AZI2, PDXK ALDH1A1 404/4885CYP2C9 1564/4885CA12 4774/4885

“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.