SCHEMBL6515682

SCHEMBL6515682

O=[N+]([O-])c1c(Cl)cccc1-c1nc2ccccc2n1CC(O)CO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.53
MMP9 P14780 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
RECQL P46063 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CTSD P07339 3/20 0.41
KDM4E B2RXH2 2/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 1/20 0.39
AGER Q15109 1/20 0.39
CFTR P13569 1/20 0.39
PTGER4 P35408 1/20 0.38
GUSB P08236 1/20 0.38

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
SCHEMBL6512290 0.86 ATM (0.40) ATMSMN1; SMN2MAPK1HTTALDH1A1
SCHEMBL6512733 0.84 CFTR (0.49) ATMMMP9MAOAMAOBSMN1; SMN2
SCHEMBL6518506 0.80 CFTR (0.49) SMN1; SMN2HTTLMNAALDH1A1GAA
SCHEMBL6520390 0.73 ATM (0.36) ATMALDH1A1CFTR
SCHEMBL6511702 0.69 CFTR (0.47) ATMMAPK1HTTLMNAALDH1A1
SCHEMBL6513748 0.67 ALDH1A1 (0.40) LMNAALDH1A1GAARECQLNPSR1
SCHEMBL6520247 0.65 ALDH1A1 (0.40) LMNAALDH1A1GAANPSR1KDM4E
SCHEMBL29411951 0.65 CFTR (0.72) SMN1; SMN2LMNAALDH1A1NPSR1KDM4E
SCHEMBL4583260 0.64 ALDH1A1 (0.53) HTTLMNAALDH1A1TSHRMAPT
SCHEMBL27756439 0.64 MEN1 (0.43) SMN1; SMN2HTTLMNAALDH1A1KDM4E

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 ATM 2834/4885MMP9 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.