SCHEMBL8290446

SCHEMBL8290446

O=C(N/N=C/c1ccco1)c1ccc(O)cc1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.72
GAA P10253 2/20 0.69
TDP1 Q9NUW8 4/20 0.67
MAPT P10636 8/20 0.66
POLB P06746 3/20 0.65
CTDSP1 Q9GZU7 2/20 0.65
AHR P35869 1/20 0.65
KMT2A Q03164 3/20 0.65
PKM P14618 2/20 0.65
MEN1 O00255 2/20 0.65
ALDH1A1 P00352 1/20 0.60
MGAM O43451 1/20 0.59
HTT P42858 1/20 0.58

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
SCHEMBL8290481 0.88 MAPT (0.76) CYP1A2GAATDP1MAPTPOLB
SCHEMBL1562661 0.88 CYP1A2 (0.76) CYP1A2GAATDP1MAPTPOLB
SCHEMBL6635372 0.88 CYP1A2 (0.76) CYP1A2GAATDP1MAPTPOLB
SCHEMBL1562660 0.88 CYP1A2 (0.76) CYP1A2GAATDP1MAPTPOLB
SCHEMBL8292509 0.87 GAA (0.71) CYP1A2GAATDP1MAPTPOLB
SCHEMBL8291227 0.87 TDP1 (0.85) CYP1A2GAATDP1MAPTPOLB
SCHEMBL21258283 0.87 CYP1A2 (0.71) CYP1A2GAATDP1MAPTPOLB
SCHEMBL8292186 0.87 CYP1A2 (0.71) CYP1A2GAATDP1MAPTPOLB
SCHEMBL8292485 0.86 TDP1 (0.71) CYP1A2GAATDP1MAPTPOLB
SCHEMBL6055366 0.84 CYP1A2 (1.00) CYP1A2GAATDP1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017133517-A1 PHOSPHAMIDE DERIVATIVE, METHOD FOR MANUFACTURING THE SAME, AND USES THEREOF 四川海思科制药有限公司 2017-08-10 WO disclosed
US-20130131340-A1 LIGANDS FOR ESTROGEN RELATED RECEPTORS AND METHODS FOR SYNTHESIS OF SAID LIGANDS FORMAN BARRY (US) 2013-05-23 US disclosed
US-20070037752-A1 Novel alanyl-amino peptidase inhibitors for functionally influencing different cells and treating immunological, inflammatory, neuronal, and other diseases KEYNEUROTEK PHARMACEUTICALS AG (DE) 2007-02-15 US disclosed
US-20070037752-A1 Novel alanyl-amino peptidase inhibitors for functionally influencing different cells and treating immunological, inflammatory, neuronal, and other diseases KEYNEUROTEK PHARMACEUTICALS AG (DE) 2007-02-15 US disclosed
WO-2005037257-A2 NOVEL ALANYL-AMINO PEPTIDASE INHIBITORS FOR FUNCTIONALLY INFLUENCING DIFFERENT CELLS AND TREATING IMMUNOLOGICAL, INFLAMMATORY, NEURONAL, AND OTHER DISEASES IMTM GMBH (DE) 2005-04-28 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-20130131340-A1 LIGANDS FOR ESTROGEN RELATED RECEPTORS AND METHODS FOR SYNTHESIS OF SAID LIGANDS ESRRA, ESRRB, ESR2 CYP1A2 358/4885GAA 4062/4885TDP1 4660/4885
US-20070037752-A1 Novel alanyl-amino peptidase inhibitors for functionally influencing different cells and treating immunological, inflammatory, neuronal, and other diseases DNPEP, PREP, ANPEP CYP1A2 1126/4885GAA 227/4885TDP1 1223/4885

“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.