SCHEMBL4783300

SCHEMBL4783300

COC(=O)C(CCCCNC(=O)OC(C)(C)C)Nc1cc(C)c(F)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.45
KCNH2 Q12809 2/20 0.45
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42

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
SCHEMBL4783294 1.00 CYP2D6 (0.45) CYP2D6KCNH2ATMTDP1MEN1
SCHEMBL4739479 0.88 CYP2D6 (0.59) CYP2D6KCNH2
SCHEMBL4739471 0.88 CYP2D6 (0.59) CYP2D6KCNH2
SCHEMBL4741167 0.79 CYP2D6 (0.47) CYP2D6KCNH2
SCHEMBL4741164 0.79 CYP2D6 (0.47) CYP2D6KCNH2
SCHEMBL10332110 0.77 KMT2A (0.54) ATMTDP1MEN1KMT2APOLB
SCHEMBL4742049 0.77 CYP2D6 (0.49) CYP2D6KCNH2
SCHEMBL4742045 0.77 CYP2D6 (0.49) CYP2D6KCNH2
SCHEMBL24205546 0.76 MEN1 (0.55) ATMTDP1MEN1KMT2APOLB
SCHEMBL5024804 0.76 MEN1 (0.55) ATMTDP1MEN1KMT2APOLB

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 CYP2D6 941/4885KCNH2 3164/4885ATM 1577/4885

“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.