SCHEMBL2990110

SCHEMBL2990110

c1ccc(CSc2ncccc2C2=NOCCO2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
CYP2C9 P11712 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HSD17B10 Q99714 1/20 0.42
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.37
TP53 P04637 2/20 0.37
HTT P42858 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
METAP1 P53582 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
GAA P10253 1/20 0.34
SLC22A12 Q96S37 1/20 0.34

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
SCHEMBL8631968 0.81 POLB (0.42) ALDH1A1MEN1KMT2AHSD17B10L3MBTL1
SCHEMBL1203340 0.81 ALDH1A1 (0.47) ALDH1A1CYP2C9MEN1KMT2AHSD17B10
SCHEMBL3783930 0.76 CA12 (0.42) ALDH1A1CYP2C9MEN1KMT2AHSD17B10
SCHEMBL8629611 0.76 NPC1 (0.42) ALDH1A1CYP2C9MEN1KMT2AHSD17B10
SCHEMBL13242898 0.75 SLC22A12 (0.32) SLC22A12
SCHEMBL8633533 0.75 ALDH1A1 (0.33) ALDH1A1CYP2C9SMN1; SMN2LMNANPC1
SCHEMBL10414873 0.74 ALDH1A1 (0.58) ALDH1A1CYP2C9MEN1KMT2AHSD17B10
SCHEMBL3259116 0.73 SMN1; SMN2 (0.35) ALDH1A1CYP2C9MEN1KMT2AHSD17B10
SCHEMBL8629590 0.72 MAPT (0.41) ALDH1A1MEN1KMT2APKMSMN1; SMN2
SCHEMBL28319827 0.70 ALDH1A1 (0.50) ALDH1A1CYP2C9MEN1KMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5696257-A INTERMEDIATES FOR HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-12-09 US claimed
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
CN-101687804-A Method for producing dioxazine derivatives BAYER CROPSCIENCE AG 2010-03-31 CN 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
US-5847126-A N-azinyl-N'-(het) arylsulphonyl-ureas BAYER AKTIENGESELLSCHAFT (DE) 1998-12-08 US disclosed
EP-0645386-B1 N-Azinyl-N'-(het)arylsulfonylureas as herbicides BAYER AG (DE) 1997-12-29 EP disclosed
US-5696257-A INTERMEDIATES FOR HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-12-09 US disclosed
US-5580842-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-12-03 US disclosed
US-5476936-A Herbicides BAYER AKTIENGESELLSCHAFT (DE) 1995-12-19 US disclosed
CN-1108656-A N-azinyl-N'-(HET)arylsulphonyl-ureas BAYER AG (DE) 1995-09-20 CN disclosed
EP-0645386-A1 N-Azinyl-N'-(het)arylsulfonylureas as herbicides BAYER AG (DE) 1995-03-29 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-20100190992-A1 Nicotinamide derivatives as synthesis units for producing agrochemical substances, and method for the production thereof NAMPT, NQO1, NNT ALDH1A1 139/4885CYP2C9 262/4885MEN1 706/4885
US-20100184973-A1 Method for producing dioxazine derivatives CYP4Z1, CYP1A1, CYP2F1 ALDH1A1 127/4885CYP2C9 42/4885MEN1 1980/4885

“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.