SCHEMBL6992077

SCHEMBL6992077

O=C(NO)c1cccnc1Cl

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.63
LMNA P02545 2/20 0.63
NPC1 O15118 1/20 0.58
EGFR P00533 4/20 0.57
GFER P55789 1/20 0.55
ALDH1A1 P00352 4/20 0.54
GAA P10253 2/20 0.54
HPGD P15428 2/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
HTT P42858 2/20 0.51
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
KDM4E B2RXH2 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL27476499 1.00 SMN1; SMN2 (0.63) SMN1; SMN2LMNANPC1EGFRGFER
SCHEMBL24003686 0.83 P2RX7 (0.64) SMN1; SMN2LMNANPC1EGFRGFER
SCHEMBL1467988 0.83 SMN1; SMN2 (0.61) SMN1; SMN2LMNANPC1EGFRGFER
SCHEMBL8707413 0.83 SMN1; SMN2 (0.61) SMN1; SMN2LMNANPC1EGFRGFER
SCHEMBL9372706 0.80 SMN1; SMN2 (0.58) SMN1; SMN2LMNANPC1EGFRGFER
SCHEMBL8299753 0.80 TDP1 (0.68) SMN1; SMN2LMNANPC1ALDH1A1GAA
SCHEMBL7291545 0.80 SMN1; SMN2 (0.58) SMN1; SMN2LMNANPC1EGFRGFER
SCHEMBL950218 0.79 LMNA (0.73) SMN1; SMN2LMNANPC1EGFRGFER
SCHEMBL13701715 0.79 SMN1; SMN2 (0.57) SMN1; SMN2LMNANPC1EGFRGFER
SCHEMBL24571401 0.79 SMN1; SMN2 (0.56) SMN1; SMN2LMNANPC1EGFRGFER

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 11 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
EP-2014658-A1 Nicotinamide derivatives and method for their manufacture Bayer CropScience AG (DE) 2009-01-14 EP 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
EP-1358169-A2 DIAMINOTHIAZOLES AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASE F. HOFFMANN-LA ROCHE AG (CH) 2003-11-05 EP disclosed
EP-0779281-B1 ISOXAZOLES SANKYO CO (JP) 2003-10-29 EP disclosed
WO-2002057261-A2 DIAMINOTHIAZOLES AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASE F. HOFFMANN-LA ROCHE AG (CH) 2002-07-25 WO disclosed
US-6096771-A ISOXAZOLE DERIVATIVES EXHIBITING EXCELLENT TYPE B AND TYPE A MONOAMINE OXIDASE INHIBITORY ACTIVITIES, THEREFORE USEFUL FOR PREVENTING PARKINSON'S DISEASE, DEPRESSION AND ALZHEIMER'S DISEASE SANKYO COMPANY, LIMITED (JP) 2000-08-01 US disclosed
US-5965591-A MONOAMINE OXIDASE INHIBITOR; FOR PROPHYLAXIS AND TREATING PARKINSON'S DISEASE, DEPRESSION AND ALZHEIMER'S DISEASE SANKYO COMPANY, LIMITED (JP) 1999-10-12 US disclosed
EP-0779281-A1 ISOXAZOLES SANKYO COMPANY LIMITED (JP) 1997-06-18 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 (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-20100190992-A1 Nicotinamide derivatives as synthesis units for producing agrochemical substances, and method for the production thereof NAMPT, NQO1, NNT SMN1; SMN2 2622/4885LMNA 2360/4885NPC1 881/4885

“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.