SCHEMBL9934388

SCHEMBL9934388

Cc1cc(N[C@H](CCCCN(C(=O)Cc2ccccc2)C(=O)Cc2ccccc2)C(=O)NO)cc(C)c1F

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.56
KCNH2 Q12809 2/20 0.56

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
SCHEMBL4742683 1.00 CYP2D6 (0.56) CYP2D6KCNH2
SCHEMBL4740794 0.86 CYP2D6 (0.58) CYP2D6KCNH2
SCHEMBL8166321 0.83 CYP2D6 (0.63) CYP2D6KCNH2
SCHEMBL4741301 0.83 CYP2D6 (0.63) CYP2D6KCNH2
SCHEMBL4739264 0.83 CYP2D6 (0.58) CYP2D6KCNH2
SCHEMBL8167069 0.83 CYP2D6 (0.58) CYP2D6KCNH2
SCHEMBL4741284 0.81 CYP2D6 (0.84) CYP2D6KCNH2
SCHEMBL4739403 0.80 CYP2D6 (0.55) CYP2D6KCNH2
SCHEMBL8167073 0.80 CYP2D6 (0.55) CYP2D6KCNH2
SCHEMBL4739494 0.79 CYP2D6 (0.56) CYP2D6KCNH2

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-8242174-B2 Hydroxamic acid derivatives of aniline useful as therapeutic agents for treating anthrax poisoning PANTHERA BIOPHARMA LLC (US) 2012-08-14 US disclosed
US-20120157462-A1 Hydroxamic acid derivatives of aniline useful as therapeutic agents for treating anthrax poisoning PANTHERA BIOPHARMA, LLC 2012-06-21 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-20120157462-A1 Hydroxamic acid derivatives of aniline useful as therapeutic agents for treating anthrax poisoning ANTXR2, AGXT, AADAC CYP2D6 941/4885KCNH2 3164/4885

“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.