SCHEMBL5113767

SCHEMBL5113767

Nc1cc(Oc2ccc3cc[nH]c3c2)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 1/20 0.50
NOS3 P29474 1/20 0.45
NOS1 P29475 1/20 0.45
NOS2 P35228 1/20 0.45
TNK2 Q07912 1/20 0.43
TYR P14679 1/20 0.42
SYK P43405 1/20 0.40
DYRK1A Q13627 2/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA10 Q9GZZ6 1/20 0.39
CHRNA9 Q9UGM1 1/20 0.39
GSK3B P49841 1/20 0.39
BACE1 P56817 1/20 0.39
MAOA P21397 1/20 0.39
AHR P35869 3/20 0.39

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
SCHEMBL1893644 0.88 KDR (0.46) NOS3NOS1NOS2SYKCHRNB4
SCHEMBL18715927 0.80 NOS3 (0.41) MEN1POLBMAPK1KMT2ANOS3
SCHEMBL5101443 0.79 MEN1 (0.47) MEN1POLBMAPK1KMT2ATNK2
SCHEMBL15952064 0.78 NOS3 (0.49) MEN1POLBMAPK1KMT2ANOS3
SCHEMBL17423787 0.76 MEN1 (0.59) MEN1POLBMAPK1KMT2ATNK2
SCHEMBL15984770 0.76 CYP19A1 (0.40) NOS3NOS1NOS2DYRK1AGSK3B
SCHEMBL15952600 0.76 S1PR1 (0.40) MEN1MAPK1KMT2ANOS3NOS1
SCHEMBL21580656 0.76 NOS3 (0.52) MEN1MAPK1KMT2ANOS3NOS1
SCHEMBL15952691 0.75 NOS3 (0.39) MEN1POLBMAPK1KMT2ANOS3
SCHEMBL15952714 0.75 NOS3 (0.36) NOS3NOS1NOS2SYKMET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7468380-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-12-23 US disclosed
US-7468380-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-12-23 US disclosed
US-7468380-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-12-23 US disclosed
US-20070004764-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-01-04 US disclosed
US-20070004764-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-01-04 US disclosed
US-20070004764-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-01-04 US disclosed
US-7109219-B2 Nitrogen-containing aromatic derivatives EISAI CO., LTD. (JP) 2006-09-19 US disclosed
US-20060004029-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-01-05 US disclosed
US-20050187236-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-08-25 US disclosed
EP-1522540-A1 AZAARENE DERIVATIVES Eisai Co., Ltd. (JP) 2005-04-13 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 (3 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-20060004029-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 MEN1 3535/4885POLB 2891/4885MAPK1 1685/4885
US-20050187236-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 MEN1 3535/4885POLB 2891/4885MAPK1 1685/4885
US-20070004764-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 MEN1 3535/4885POLB 2891/4885MAPK1 1685/4885

“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.