SCHEMBL8291968

SCHEMBL8291968

O=C(N/N=C/c1ccco1)c1ccn[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 1.00
CYP1A2 P05177 3/20 0.62
POLB P06746 6/20 0.62
NPC1 O15118 3/20 0.60
KDM4E B2RXH2 2/20 0.60
MAPT P10636 6/20 0.59
AHR P35869 1/20 0.59
CTDSP1 Q9GZU7 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.58
RAB9A P51151 4/20 0.57
PKM P14618 1/20 0.57
MEN1 O00255 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
GAA P10253 1/20 0.55
HPGD P15428 1/20 0.55
ALDH1A1 P00352 1/20 0.55
SMN1; SMN2 Q16637 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
SCHEMBL8290609 0.79 POLB (0.74) KMT2ACYP1A2POLBNPC1MAPT
SCHEMBL2299099 0.79 RAB9A (0.66) KMT2ACYP1A2POLBNPC1KDM4E
SCHEMBL2299104 0.79 RAB9A (0.66) KMT2ACYP1A2POLBNPC1KDM4E
SCHEMBL8290458 0.78 POLB (0.77) KMT2ACYP1A2POLBNPC1KDM4E
SCHEMBL6055366 0.77 CYP1A2 (1.00) KMT2ACYP1A2POLBNPC1KDM4E
SCHEMBL12443070 0.77 CYP1A2 (1.00) KMT2ACYP1A2POLBNPC1KDM4E
SCHEMBL14583780 0.76 POLB (0.67) KMT2ACYP1A2POLBNPC1KDM4E
SCHEMBL8290511 0.76 MAPT (0.68) KMT2ACYP1A2POLBNPC1KDM4E
SCHEMBL1562661 0.75 CYP1A2 (0.76) KMT2ACYP1A2POLBNPC1KDM4E
SCHEMBL1562660 0.75 CYP1A2 (0.76) KMT2ACYP1A2POLBNPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20070037752-A1 Novel alanyl-amino peptidase inhibitors for functionally influencing different cells and treating immunological, inflammatory, neuronal, and other diseases DNPEP, PREP, ANPEP KMT2A 3390/4885CYP1A2 1126/4885POLB 1250/4885

“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.