SCHEMBL7106797

SCHEMBL7106797

O=[N+]([O-])c1c(NCCOCCCc2cccnc2)c2ccccc2n2nnnc12

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.40
MAPT P10636 4/20 0.40
GAA P10253 3/20 0.40
ALDH1A1 P00352 8/20 0.39
HTT P42858 1/20 0.39
POLB P06746 1/20 0.38
CYP19A1 P11511 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
CHRNA7 P36544 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
FLT3 P36888 1/20 0.33
GBA1 P04062 1/20 0.33
FKBP1A P62942 1/20 0.33
PTAFR P25105 1/20 0.33

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
SCHEMBL7107891 0.85 KDM4E (0.36) HPGDGAAALDH1A1HTTSMN1; SMN2
SCHEMBL6099648 0.71 ALDH1A1 (0.45) HPGDMAPTGAAALDH1A1HTT
SCHEMBL5340881 0.71 MAPT (0.37) MAPTALDH1A1CYP19A1CYP11B1CYP11B2
SCHEMBL6704175 0.71 KDM4E (0.36) GAAALDH1A1POLBSMN1; SMN2LMNA
SCHEMBL6696022 0.69 ALDH1A1 (0.38) GAAALDH1A1HTTNPSR1PTAFR
SCHEMBL4775513 0.69 LMNA (0.37) MAPTALDH1A1CYP19A1CYP11B1CYP11B2
SCHEMBL6696621 0.68 ACHE (0.42)
SCHEMBL6100506 0.68 MAPT (0.47) HPGDMAPTGAAALDH1A1HTT
SCHEMBL6701743 0.67 TLR7 (0.37) GAAALDH1A1HTTSMN1; SMN2NPSR1
SCHEMBL12702171 0.67 ALDH1A1 (0.32) HPGDMAPTGAAALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6664260-B2 Viricides; anticarcinogneic agents; induction cytokine biosynthesis 3M INNOVATIVE PROPERTIES COMPANY 2003-12-16 US disclosed
US-20030065005-A1 Heterocyclic ether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2003-04-03 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-20030065005-A1 Heterocyclic ether substituted imidazoquinolines IFNG, IL2, IRF3 HPGD 560/4885MAPT 4130/4885GAA 3575/4885

“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.