SCHEMBL219620

SCHEMBL219620

O=C(Nc1ccccc1)NN1CCOCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.67
NPC1 O15118 1/20 0.67
RAB9A P51151 1/20 0.67
CYP2C19 P33261 2/20 0.61
CYP2C9 P11712 1/20 0.61
MAPT P10636 3/20 0.60
GAA P10253 2/20 0.60
TSHR P16473 2/20 0.58
POLB P06746 1/20 0.58
HSD17B10 Q99714 1/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
CDK5 Q00535 2/20 0.56
CDK5R1 Q15078 2/20 0.56
CCNA2 P20248 1/20 0.56
CDK2 P24941 1/20 0.56
CCNA1 P78396 1/20 0.56
LMNA P02545 2/20 0.56
ALDH1A1 P00352 3/20 0.55
NPSR1 Q6W5P4 2/20 0.55

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
SCHEMBL8961559 0.84 TP53 (0.57) SMN1; SMN2NPC1RAB9AMAPTTSHR
SCHEMBL5198772 0.84 SMN1; SMN2 (0.63) SMN1; SMN2NPC1RAB9ACYP2C19CYP2C9
SCHEMBL10683683 0.84 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9AMAPTGAA
SCHEMBL19357115 0.80 GAA (0.88) SMN1; SMN2NPC1RAB9AMAPTGAA
SCHEMBL10748956 0.80 MAPT (0.60) SMN1; SMN2NPC1RAB9ACYP2C19CYP2C9
SCHEMBL8867318 0.79 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL8867326 0.79 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL11177556 0.78 CYP2C19 (0.77) SMN1; SMN2NPC1RAB9ACYP2C19CYP2C9
SCHEMBL11771349 0.77 GAA (0.71) SMN1; SMN2NPC1RAB9AMAPTGAA
SCHEMBL11832873 0.77 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017157882-A1 SERINE BIOSYNTHETIC PATHWAY INHIBITORS Université Catholique de Louvain (BE) 2017-09-21 WO claimed
WO-2017157882-A1 SERINE BIOSYNTHETIC PATHWAY INHIBITORS Université Catholique de Louvain (BE) 2017-09-21 WO disclosed
WO-2017157882-A1 SERINE BIOSYNTHETIC PATHWAY INHIBITORS Université Catholique de Louvain (BE) 2017-09-21 WO disclosed
US-8088752-B2 Methods for metabolic modulation VDF FUTURECEUTICALS, INC. (US) 2012-01-03 US disclosed
US-20090208620-A1 Alimentary Compositions and Methods For Metabolic Modulation VDF FUTURECEUTICALS, INC. (US) 2009-08-20 US disclosed
US-20090203638-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR METABOLIC MODULATION VDF FUTURECEUTICALS, INC. (US) 2009-08-13 US disclosed
US-20070184067-A1 Alimentary compositions and methods for metabolic modulation VDF FUTURECEUTICALS 2007-08-09 US disclosed
US-20070161582-A1 Pharmaceutical compositions and methods for metabolic modulation VDF FUTURECEUTICALS 2007-07-12 US disclosed
WO-2005020892-A2 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR METABOLIC MODULATION MITOCHROMA RESEARCH, INC. (US) 2005-03-10 WO disclosed
WO-2005016268-A2 ALIMENTARY COMPOSITIONS AND METHODS FOR METABOLIC MODULATION MITOCHROMA RESEARCH, INC. (US) 2005-02-24 WO disclosed
US-4032638-A Heterocyclic ureas E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-06-28 US disclosed
US-3973946-A Substituted-3-phenyl ureas E. I. DUPONT DE NEMOURS & COMPANY (US) 1976-08-10 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 (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-20070161582-A1 Pharmaceutical compositions and methods for metabolic modulation GPR119, PRKAG2, PRKAG1 SMN1; SMN2 4777/4885NPC1 330/4885RAB9A 2018/4885
US-20090203638-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR METABOLIC MODULATION GPR119, PRKAG2, GCKR SMN1; SMN2 4763/4885NPC1 359/4885RAB9A 2079/4885

“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.