SCHEMBL2904420

SCHEMBL2904420

O=C(NOCCO)c1cccnc1SCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.62
PKM P14618 1/20 0.62
ALDH1A1 P00352 3/20 0.62
CYP2C9 P11712 1/20 0.62
SMN1; SMN2 Q16637 5/20 0.51
TP53 P04637 1/20 0.51
KDR P35968 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
GAA P10253 1/20 0.48
ATM Q13315 2/20 0.46
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HPGD P15428 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL3003250 0.89 L3MBTL1 (0.61) L3MBTL1PKMALDH1A1CYP2C9SMN1; SMN2
SCHEMBL4018265 0.84 L3MBTL1 (0.60) L3MBTL1PKMALDH1A1CYP2C9SMN1; SMN2
SCHEMBL13997174 0.83 L3MBTL1 (0.53) L3MBTL1PKMALDH1A1CYP2C9SMN1; SMN2
SCHEMBL13207381 0.81 ALDH1A1 (0.74) L3MBTL1PKMALDH1A1CYP2C9SMN1; SMN2
SCHEMBL13242909 0.78 SMN1; SMN2 (0.43) L3MBTL1PKMSMN1; SMN2MEN1KMT2A
SCHEMBL3594763 0.78 ALDH1A1 (1.00) L3MBTL1PKMALDH1A1CYP2C9SMN1; SMN2
SCHEMBL8630241 0.77 L3MBTL1 (1.00) L3MBTL1PKMALDH1A1CYP2C9SMN1; SMN2
Hydrochloric Acid SCHEMBL10517128 0.76 ALDH1A1 (0.97) L3MBTL1PKMALDH1A1CYP2C9SMN1; SMN2
SCHEMBL9370578 0.75 ALDH1A1 (0.78) L3MBTL1PKMALDH1A1CYP2C9SMN1; SMN2
SCHEMBL2902134 0.74 SMN1; SMN2 (0.50) L3MBTL1ALDH1A1CYP2C9SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2160391-B1 NICOTINAMIDE DERIVATIVES AS SYNTHESIS UNITS FOR PRODUCING AGROCHEMICAL SUBSTANCES, AND METHOD FOR THE PRODUCTION THEREOF BAYER CROPSCIENCE AG (DE) 2010-08-04 EP disclosed
US-20100190992-A1 Nicotinamide derivatives as synthesis units for producing agrochemical substances, and method for the production thereof BAYER CROPSCIENCE AG (DE) 2010-07-29 US disclosed
US-20100190992-A1 Nicotinamide derivatives as synthesis units for producing agrochemical substances, and method for the production thereof BAYER CROPSCIENCE AG (DE) 2010-07-29 US disclosed
US-20100190992-A1 Nicotinamide derivatives as synthesis units for producing agrochemical substances, and method for the production thereof BAYER CROPSCIENCE AG (DE) 2010-07-29 US disclosed
US-20100184973-A1 Method for producing dioxazine derivatives BAYER CROPSCIENCE AG (DE) 2010-07-22 US disclosed
US-20100184973-A1 Method for producing dioxazine derivatives BAYER CROPSCIENCE AG (DE) 2010-07-22 US disclosed
US-20100184973-A1 Method for producing dioxazine derivatives BAYER CROPSCIENCE AG (DE) 2010-07-22 US disclosed
EP-2167467-A1 METHOD FOR PRODUCING DIOXAZINE DERIVATIVES Bayer CropScience AG (DE) 2010-03-31 EP disclosed
EP-2160391-A1 NICOTINAMIDE DERIVATIVES AS SYNTHESIS UNITS FOR PRODUCING AGROCHEMICAL SUBSTANCES, AND METHOD FOR THE PRODUCTION THEREOF Bayer CropScience AG (DE) 2010-03-10 EP disclosed
EP-2014658-A1 Nicotinamide derivatives and method for their manufacture Bayer CropScience AG (DE) 2009-01-14 EP disclosed
EP-2014658-A1 Nicotinamide derivatives and method for their manufacture Bayer CropScience AG (DE) 2009-01-14 EP disclosed
EP-2009001-A1 Method for manufacturing dioxazine derivatives Bayer CropScience AG (DE) 2008-12-31 EP disclosed
EP-2009001-A1 Method for manufacturing dioxazine derivatives Bayer CropScience AG (DE) 2008-12-31 EP disclosed
WO-2008155004-A1 METHOD FOR PRODUCING DIOXAZINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2008-12-24 WO disclosed
WO-2008155004-A1 METHOD FOR PRODUCING DIOXAZINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2008-12-24 WO disclosed
WO-2008155003-A1 NICOTINAMIDE DERIVATIVES AS SYNTHESIS UNITS FOR PRODUCING AGROCHEMICAL SUBSTANCES, AND METHOD FOR THE PRODUCTION THEREOF BAYER CROPSCIENCE AG (DE) 2008-12-24 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-20100190992-A1 Nicotinamide derivatives as synthesis units for producing agrochemical substances, and method for the production thereof NAMPT, NQO1, NNT L3MBTL1 4513/4885PKM 1452/4885ALDH1A1 139/4885
US-20100184973-A1 Method for producing dioxazine derivatives CYP4Z1, CYP1A1, CYP2F1 L3MBTL1 4848/4885PKM 1784/4885ALDH1A1 127/4885

“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.