SCHEMBL409694

SCHEMBL409694

CN1CCN(CC(=O)O)CCN(CC(Cc2ccc([N+](=O)[O-])cc2)NCC(=O)O)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
KCNJ1 P48048 5/20 0.43
KCNH2 Q12809 5/20 0.43
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
NR2F2 P24468 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MC4R P32245 1/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
OPRK1 P41145 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL463473 0.95 LMNA (0.44) ALDH1A1KCNJ1KCNH2KMT2AKDM4E
SCHEMBL18021170 0.91 SIGMAR1 (0.43) ALDH1A1KCNJ1KCNH2KMT2AKDM4E
SCHEMBL13013988 0.89 ALDH1A1 (0.44) ALDH1A1KCNJ1KCNH2KMT2AKDM4E
SCHEMBL7945526 0.88 LMNA (0.39) ALDH1A1KCNJ1KCNH2KMT2AKDM4E
SCHEMBL18021179 0.87 SIGMAR1 (0.40) KCNJ1KCNH2SMN1; SMN2LMNAGAA
SCHEMBL18371461 0.86 ALPL (0.41) ALDH1A1KMT2ARAB9ASMN1; SMN2LMNA
SCHEMBL18371464 0.86 ALPL (0.41) ALDH1A1KMT2ARAB9ASMN1; SMN2LMNA
SCHEMBL18021171 0.84 SIGMAR1 (0.47) ALDH1A1KCNJ1KCNH2KMT2AKDM4E
SCHEMBL13062232 0.83 LMNA (0.47) ALDH1A1KCNJ1KCNH2KMT2AKDM4E
SCHEMBL17986169 0.82 KCNJ1 (0.46) ALDH1A1KCNJ1KCNH2KDM4ENPC1

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
US-20170008863-A1 SYNTHESIS OF THERAPEUTIC AND DIAGNOSTIC DRUGS CENTERED ON REGIOSELECTIVE AND STEREOSELECTIVE RING OPENING OF AZIRIDINIUM IONS CHONG, HYUN-SOON, PHD 2017-01-12 US disclosed
US-8986650-B2 Complex folate-NOTA-Ga68 GUERBET (FR) 2015-03-24 US disclosed
US-20120064003-A1 COMPLEX FOLATE-NOTA-Ga68 GUERBET (FR) 2012-03-15 US disclosed
US-20120009124-A1 USE OF BUFFERS FOR RADIONUCLIDE COMPLEXATION GUERBET (FR) 2012-01-12 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 (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-20120009124-A1 USE OF BUFFERS FOR RADIONUCLIDE COMPLEXATION CA5B, CA3, CA1 ALDH1A1 3513/4885KCNJ1 4043/4885KCNH2 1860/4885
US-20170008863-A1 SYNTHESIS OF THERAPEUTIC AND DIAGNOSTIC DRUGS CENTERED ON REGIOSELECTIVE AND STEREOSELECTIVE RING OPENING OF AZIRIDINIUM IONS AZI2, ABL1, DHPS ALDH1A1 1847/4885KCNJ1 296/4885KCNH2 710/4885
US-20120064003-A1 COMPLEX FOLATE-NOTA-Ga68 FOLR1, FOLR2, DHFR ALDH1A1 1885/4885KCNJ1 4800/4885KCNH2 4549/4885

“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.