SCHEMBL6512733

SCHEMBL6512733

O=[N+]([O-])c1ccccc1-c1nc2ccccc2n1CC(O)CO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.49
MMP9 P14780 1/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
ATM Q13315 1/20 0.47
CTSD P07339 3/20 0.45
GUSB P08236 1/20 0.45
MAPT P10636 3/20 0.43
AGER Q15109 1/20 0.43
HTT P42858 3/20 0.42
PTGER4 P35408 1/20 0.41
LMNA P02545 3/20 0.40
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
NPY1R P25929 1/20 0.40

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
SCHEMBL6511702 0.84 CFTR (0.47) CFTRATMCTSDGUSBMAPT
SCHEMBL6515682 0.84 ATM (0.53) CFTRMMP9MAOAMAOBATM
SCHEMBL29411951 0.78 CFTR (0.72) CFTRMAPTLMNAALDH1A1TSHR
SCHEMBL28381810 0.78 CFTR (0.56) CFTRCTSDGUSBMAPTHTT
SCHEMBL6514222 0.77 ALDH1A1 (0.59) CFTRCTSDGUSBMAPTHTT
SCHEMBL3306340 0.77 CFTR (0.61) CFTRCTSDGUSBMAPTLMNA
SCHEMBL29412142 0.77 CFTR (0.61) CFTRCTSDGUSBMAPTLMNA
SCHEMBL6514322 0.73 ALDH1A1 (0.62) CFTRMAPTHTTLMNAALDH1A1
SCHEMBL6514897 0.73 MGAM (0.46) CFTRATMMAPTHTTLMNA
SCHEMBL6511599 0.73 MGAM (0.42) CFTRATMMAPTLMNAKDM4E

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-20050239767-A1 Intermolecular SNAr of the heterocycle-activated nitro and fluoro groups-application in the synthesis of polyazamacrocyclic ligands NATIONAL SCIENCE FOUNDATION 2005-10-27 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-20050239767-A1 Intermolecular SNAr of the heterocycle-activated nitro and fluoro groups-application in the synthesis of polyazamacrocyclic ligands TECR, PAICS, DCXR CFTR 3253/4885MMP9 3290/4885MAOA 181/4885

“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.