SCHEMBL5114492

SCHEMBL5114492

CNC(=O)c1c[nH]c2ccc(OCc3ccccc3)cc12

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.59
ALDH1A1 P00352 1/20 0.58
HPGD P15428 1/20 0.58
MDH2 P40926 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
LTA4H P09960 4/20 0.56
PLA2G2A P14555 4/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
HSP90AA1 P07900 1/20 0.56
HSP90AB1 P08238 1/20 0.56
TRPM8 Q7Z2W7 3/20 0.56
KDM4E B2RXH2 1/20 0.54
MAPT P10636 1/20 0.54
HTR1D P28221 3/20 0.54
SLC6A4 P31645 1/20 0.52
KIF20A O95235 1/20 0.51
GAA P10253 1/20 0.50
GPR55 Q9Y2T6 1/20 0.50

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
SCHEMBL9023222 0.87 NR4A2 (0.66) POLBALDH1A1HPGDMDH2SMN1; SMN2
SCHEMBL6764594 0.86 MAOB (0.61) POLBALDH1A1HPGDMDH2SMN1; SMN2
SCHEMBL6098744 0.85 ALDH1A1 (0.57) POLBALDH1A1HPGDMDH2SMN1; SMN2
SCHEMBL28123392 0.84 TRPM8 (0.60) POLBALDH1A1HPGDMDH2SMN1; SMN2
SCHEMBL7376780 0.84 ALDH1A1 (0.59) POLBALDH1A1HPGDMDH2SMN1; SMN2
SCHEMBL11602121 0.84 ALDH1A1 (0.61) POLBALDH1A1HPGDMDH2SMN1; SMN2
SCHEMBL18549394 0.84 LTA4H (0.63) POLBALDH1A1HPGDMDH2SMN1; SMN2
SCHEMBL6826445 0.83 ALDH1A1 (0.60) POLBALDH1A1HPGDMDH2SMN1; SMN2
SCHEMBL7382353 0.83 MEN1 (0.64) POLBALDH1A1HPGDMDH2SMN1; SMN2
SCHEMBL4030619 0.82 TRPM8 (0.63) POLBALDH1A1HPGDMDH2SMN1; SMN2

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 6 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-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 POLB 2891/4885ALDH1A1 1501/4885HPGD 2778/4885
US-20050187236-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 POLB 2891/4885ALDH1A1 1501/4885HPGD 2778/4885
US-20070004764-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 POLB 2891/4885ALDH1A1 1501/4885HPGD 2778/4885

“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.