SCHEMBL910487

SCHEMBL910487

NC1CCN(C[C@@H]2CCn3c(=O)ccc4ncc(=O)n2c43)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.47
PIM1 P11309 1/20 0.34
MTOR P42345 8/20 0.33
FKBP1A P62942 1/20 0.32
FKBP1B P68106 1/20 0.32
PRKDC P78527 1/20 0.32
ATM Q13315 1/20 0.32
KCNH2 Q12809 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
Hydrochloric Acid SCHEMBL910828 0.99 TOP2A (0.46) TOP2APIM1MTORFKBP1AFKBP1B
SCHEMBL910186 0.95 TOP2A (0.43) TOP2APIM1MTORFKBP1AFKBP1B
SCHEMBL3725589 0.95 TOP2A (0.43) TOP2APIM1MTORFKBP1AFKBP1B
Hydrochloric Acid SCHEMBL910182 0.94 TOP2A (0.42) TOP2APIM1MTORFKBP1AFKBP1B
Hydrochloric Acid SCHEMBL910447 0.94 TOP2A (0.42) TOP2APIM1MTORFKBP1AFKBP1B
Trifluoroacetic Acid SCHEMBL909865 0.91 TOP2A (0.41) TOP2AMTORFKBP1AFKBP1BPRKDC
SCHEMBL335505 0.91 TOP2A (0.55) TOP2APIM1MTORFKBP1AFKBP1B
SCHEMBL335558 0.91 TOP2A (0.55) TOP2APIM1MTORFKBP1AFKBP1B
SCHEMBL336118 0.91 TOP2A (0.55) TOP2APIM1MTORFKBP1AFKBP1B
Hydrochloric Acid SCHEMBL3328648 0.90 TOP2A (0.54) TOP2APIM1MTORFKBP1AFKBP1B

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-20110009394-A1 TRICYCLIC NITROGEN COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2011-01-13 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-20110009394-A1 TRICYCLIC NITROGEN COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS NRDC, NCL, NPM1 TOP2A 96/4885PIM1 3360/4885MTOR 179/4885

“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.