SCHEMBL7209327

SCHEMBL7209327

[CH2]/C=C/c1cccc(-n2cncn2)n1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP2A6 P11509 1/20 0.36
FBP1 P09467 1/20 0.33
PIM1 P11309 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL7034364 0.90 ALDH1A1 (0.34) ALDH1A1MAPTKDM4ESMN1; SMN2CYP2A6
SCHEMBL6847864 0.82 ALDH1A1 (0.41) ALDH1A1MAPTKDM4ESMN1; SMN2CYP2A6
SCHEMBL6847862 0.82 ALDH1A1 (0.41) ALDH1A1MAPTKDM4ESMN1; SMN2CYP2A6
SCHEMBL6850475 0.80 ALDH1A1 (0.39) ALDH1A1MAPTKDM4ESMN1; SMN2CYP2A6
SCHEMBL6850473 0.80 ALDH1A1 (0.39) ALDH1A1MAPTKDM4ESMN1; SMN2CYP2A6
SCHEMBL28303005 0.79 CYP2A6 (0.47) ALDH1A1MAPTKDM4ESMN1; SMN2CYP2A6
SCHEMBL7214316 0.76 KDM4E (0.43) ALDH1A1MAPTKDM4ESMN1; SMN2LMNA
SCHEMBL5769923 0.71 CYP2A6 (0.41) ALDH1A1MAPTKDM4ESMN1; SMN2CYP2A6
SCHEMBL4820875 0.69 SMN1; SMN2 (0.46) ALDH1A1MAPTKDM4ESMN1; SMN2CYP2A6
SCHEMBL16419707 0.68 IRAK4 (0.38) ALDH1A1MAPTKDM4ESMN1; SMN2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6613747-B2 Erythromycins to treat community-acquired pneumonia and upper and lower respiratory tract, skin and soft tissue, hospital-acquired lung, bone and joint infections; Staphyloccus; Enterococcus; Moraxella; Hemophilus; antibiotic resistance ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-09-02 US disclosed
US-6472372-B1 6-O-Carbamoyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICALS, INC. 2002-10-29 US disclosed
US-20020115620-A1 6-0-carbamoyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-08-22 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-20020115620-A1 6-0-carbamoyl ketolide antibacterials Q6ZSR9, HK1, KDM4E ALDH1A1 3629/4885MAPT 4095/4885KDM4E 3/4885

“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.