SCHEMBL4743404

SCHEMBL4743404

COC(=O)C(N)CCCCOCc1ccc(F)c(C)c1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL4743405 1.00 FFAR4 (0.38) FFAR4HDAC3HDAC1HDAC2HDAC8
SCHEMBL4742713 0.82 CYP2D6 (0.46)
SCHEMBL4742712 0.82 CYP2D6 (0.46)
SCHEMBL3625680 0.80 LTA4H (0.52)
SCHEMBL5367312 0.79 ALDH1A1 (0.51) HDAC3HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL3621454 0.79 LTA4H (0.51)
Hydrochloric Acid SCHEMBL3621460 0.79 LTA4H (0.51)
Hydrochloric Acid SCHEMBL5367308 0.78 ALDH1A1 (0.53) HDAC3HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL27548705 0.78 ALDH1A1 (0.53) HDAC3HDAC1HDAC2HDAC8
SCHEMBL20379010 0.77 HDAC3 (0.44) FFAR4HDAC3HDAC1HDAC2HDAC8

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-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
WO-2008094592-A1 HYDROXAMIC ACID DERIVATIVES OF ANILINE USEFUL AS THERAPEUTIC AGENTS FOR TREATING ANTHRAX POISONING PANTHERA BIOPHARNA, LLC (US) 2008-08-07 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-20120157462-A1 Hydroxamic acid derivatives of aniline useful as therapeutic agents for treating anthrax poisoning ANTXR2, AGXT, AADAC FFAR4 2422/4885HDAC3 164/4885HDAC1 60/4885

“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.