SCHEMBL7107891

SCHEMBL7107891

Nc1c(NCCOCCCc2cccnc2)c2ccccc2n2nnnc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
GBA1 P04062 4/20 0.35
ALDH1A1 P00352 3/20 0.35
GAA P10253 1/20 0.35
CHRNA7 P36544 1/20 0.35
PTAFR P25105 1/20 0.35
CYP2A6 P11509 1/20 0.34
HPGD P15428 1/20 0.34
FLT3 P36888 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
NOS1 P29475 1/20 0.33
HRH1 P35367 2/20 0.33
ACP1 P24666 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
HTT P42858 1/20 0.32

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
SCHEMBL7106797 0.85 HPGD (0.40) KDM4ENPSR1SMN1; SMN2RXFP1GBA1
SCHEMBL6700349 0.77 CYP2A6 (0.36) ALDH1A1GAACHRNA7PTAFRCYP2A6
SCHEMBL6704175 0.74 KDM4E (0.36) KDM4ESMN1; SMN2ALDH1A1GAACHRNA7
SCHEMBL6696022 0.73 ALDH1A1 (0.38) NPSR1ALDH1A1GAAPTAFRCYP1A2
SCHEMBL6701743 0.70 TLR7 (0.37) NPSR1SMN1; SMN2ALDH1A1GAAHRH1
SCHEMBL4777571 0.66 CHRNA7 (0.37) GBA1CHRNA7PTAFRCYP2A6NOS1
SCHEMBL8309976 0.64 POLB (0.41) KDM4ESMN1; SMN2RXFP1ALDH1A1GAA
SCHEMBL4774923 0.64 CYP2A6 (0.69) CHRNA7PTAFRCYP2A6HRH1CYP3A4
SCHEMBL20412275 0.64 CYP2A6 (0.74) CHRNA7PTAFRCYP2A6CYP1A2HRH1
SCHEMBL18389623 0.63 HRH1 (0.73) CHRNA7PTAFRCYP2A6HRH1CYP3A4

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-6664260-B2 Viricides; anticarcinogneic agents; induction cytokine biosynthesis 3M INNOVATIVE PROPERTIES COMPANY 2003-12-16 US disclosed
EP-1339715-A2 HETEROCYCLIC ETHER SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2003-09-03 EP disclosed
US-20030065005-A1 Heterocyclic ether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2003-04-03 US disclosed
WO-2002046193-A2 HETEROCYCLIC ETHER SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2002-06-13 WO 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 KDM4E 752/4885NPSR1 4094/4885SMN1; SMN2 4312/4885

“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.