SCHEMBL30104115

SCHEMBL30104115

CCOc1ccccc1C(=[N+]=[N-])C(=O)OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.54
KCNK3 O14649 1/20 0.48
KCNK9 Q9NPC2 1/20 0.48
MAPT P10636 4/20 0.48
MAPK1 P28482 2/20 0.48
GAA P10253 2/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 2/20 0.46
TSHR P16473 3/20 0.45
LMNA P02545 2/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
ALDH1A1 P00352 1/20 0.45
RAB9A P51151 1/20 0.45
HTT P42858 1/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL18740988 0.85 HCRTR1 (0.53) HCRTR1KCNK3KCNK9MAPTMAPK1
SCHEMBL316291 0.85 SGMS2 (0.53) MAPTGAAMEN1KMT2ALMNA
SCHEMBL27981110 0.84 CTSD (0.51) KCNK3KCNK9MAPTMAPK1GAA
SCHEMBL29245038 0.80 HCRTR1 (0.61) HCRTR1KCNK3KCNK9MAPTMAPK1
SCHEMBL30104126 0.79 MAPT (0.54) KCNK3KCNK9MAPTMAPK1GAA
SCHEMBL22982111 0.78 GAA (0.44) MAPTGAAKMT2AKDM4ELMNA
SCHEMBL28319862 0.78 NPC1 (0.44) KCNK3KCNK9MAPTMEN1KMT2A
SCHEMBL24766012 0.77 HCRTR1 (0.58) HCRTR1KCNK3KCNK9MAPTMAPK1
SCHEMBL14639033 0.76 LMNA (0.50) MAPTKMT2AKDM4ETSHRLMNA
SCHEMBL1989129 0.76 HCRTR1 (0.65) HCRTR1KCNK3KCNK9MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11518768-B2 Artificial metalloenzymes containing noble metal-porphyrins THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-12-06 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 (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-11518768-B2 Artificial metalloenzymes containing noble metal-porphyrins PPIH, HMBS, PPOX HCRTR1 4807/4885KCNK3 2705/4885KCNK9 2586/4885

“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.