SCHEMBL3780022

SCHEMBL3780022

COC(=O)c1ccncc1SCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.59
PKM P14618 1/20 0.59
TP53 P04637 1/20 0.49
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 4/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
KMT2A Q03164 3/20 0.46
HSD17B10 Q99714 2/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 2/20 0.44
TSHR P16473 2/20 0.44
KDM6B O15054 2/20 0.44
KDM4C Q9H3R0 2/20 0.44

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
SCHEMBL13058364 0.89 L3MBTL1 (0.59) L3MBTL1PKMTP53KDM4EALDH1A1
SCHEMBL9869415 0.87 LMNA (0.53) L3MBTL1PKMTP53KDM4EALDH1A1
SCHEMBL3776648 0.84 ALDH1A1 (0.54) L3MBTL1KDM4EALDH1A1GAACA12
SCHEMBL8628655 0.83 POLB (0.65) L3MBTL1PKMKDM4EALDH1A1GAA
SCHEMBL1053353 0.83 L3MBTL1 (0.61) L3MBTL1PKMKDM4EALDH1A1TDP1
SCHEMBL3785010 0.82 KMT2A (0.50) L3MBTL1PKMKDM4EALDH1A1GAA
SCHEMBL2542310 0.80 L3MBTL1 (0.41) L3MBTL1PKMTP53KDM4EALDH1A1
SCHEMBL2542315 0.80 L3MBTL1 (0.41) L3MBTL1PKMTP53KDM4EALDH1A1
SCHEMBL23207044 0.79 L3MBTL1 (0.56) L3MBTL1PKMKDM4EALDH1A1GAA
SCHEMBL21056576 0.79 KDM4E (0.53) L3MBTL1KDM4EALDH1A1GLAGAA

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 L3MBTL1 2138/4885PKM 860/4885TP53 3370/4885

“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.