SCHEMBL6676387

SCHEMBL6676387

CCC(N)c1cccc(NC(N)=N[N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.43
GRIN2D O15399 4/20 0.43
GRIN3B O60391 4/20 0.43
GRIN1 Q05586 4/20 0.43
GRIN2A Q12879 4/20 0.43
GRIN2B Q13224 4/20 0.43
GRIN2C Q14957 4/20 0.43
GRIN3A Q8TCU5 4/20 0.43
MAPK1 P28482 1/20 0.40
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
CHIT1 Q13231 1/20 0.38
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
ALOX12 P18054 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36

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
Hydrochloric Acid SCHEMBL6676140 0.99 SIGMAR1 (0.42) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6675007 0.86 GRIN2D (0.49) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL6679173 0.85 SIGMAR1 (0.48) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6704620 0.81 NOS3 (0.43) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6676180 0.81 SIGMAR1 (0.47) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6549818 0.81 NOS3 (0.43) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL6548543 0.80 NOS3 (0.42) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6676381 0.78 ALDH1A1 (0.39) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL6679019 0.78 HDAC4 (0.39) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL6676136 0.77 ALDH1A1 (0.38) ALDH1A1MAPTKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0798292-B1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) 2004-11-03 EP claimed
US-6534546-B1 Guanidine- or isothioureido-N-derived anilines; brain, nervous system, and neurodegenerative disorders CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-03-18 US claimed
EP-0798292-A1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY Chugai Seiyaku Kabushiki Kaisha (JP) 1997-10-01 EP claimed
US-20030073679-A1 Novel metallotexaphyrin derivatives UNIVERSITY OF TEXAS 2003-04-17 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-20030073679-A1 Novel metallotexaphyrin derivatives SLC40A1, PPOX, HMBS SIGMAR1 2836/4885GRIN2D 1566/4885GRIN3B 963/4885

“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.