SCHEMBL7637951

SCHEMBL7637951

N#CCCOC(=O)C(=Cc1ccc([N+](=O)[O-])cc1)C(=O)CCCCN

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.43
KDM4E B2RXH2 7/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 4/20 0.43
LMNA P02545 5/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
GLO1 Q04760 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
FBP1 P09467 1/20 0.34
KMT2A Q03164 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
MEN1 O00255 1/20 0.34
NTSR1 P30989 1/20 0.34

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
SCHEMBL7238878 0.90 KDM4E (0.43) MAPTKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL7238876 0.90 KDM4E (0.43) MAPTKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL7236548 0.89 KDM4E (0.42) MAPTKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL7236552 0.89 KDM4E (0.42) MAPTKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL7237785 0.86 KDM4E (0.45) MAPTKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL7237781 0.86 KDM4E (0.45) MAPTKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL7242556 0.84 KDM4E (0.46) MAPTKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL7242559 0.84 KDM4E (0.46) MAPTKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL7236509 0.82 GLO1 (0.52) MAPTKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL7236503 0.82 GLO1 (0.52) MAPTKDM4ESMN1; SMN2ALDH1A1LMNA

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-20020193599-A1 Dihydropyridines and new uses thereof SYNAPTIC PHARMACEUTICAL CORPORATION 2002-12-19 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-20020193599-A1 Dihydropyridines and new uses thereof BPHL, BCKDK, DHCR7 MAPT 3869/4885KDM4E 2785/4885SMN1; SMN2 3900/4885

“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.