SCHEMBL4742710

SCHEMBL4742710

CCCCC(Nc1cc(Br)cc(Br)c1)C(=O)NO

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
MMP2 P08253 1/20 0.44
CA9 Q16790 1/20 0.44
CYP2D6 P10635 2/20 0.44
KCNH2 Q12809 2/20 0.44

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
SCHEMBL4742724 0.92 CYP2D6 (0.43) CA1CA2MMP2CA9CYP2D6
SCHEMBL4742075 0.85 CYP2D6 (0.46) CA1CA2MMP2CA9CYP2D6
SCHEMBL4743414 0.84 CYP2D6 (0.51) CYP2D6KCNH2
SCHEMBL4741219 0.84 CA1 (0.52) CA1CA2MMP2CA9CYP2D6
SCHEMBL4740780 0.81 CYP2D6 (0.64) CYP2D6KCNH2
SCHEMBL8165771 0.81 CYP2D6 (0.64) CYP2D6KCNH2
SCHEMBL4742706 0.81 MMP9 (0.48) CA1CA2MMP2CA9CYP2D6
SCHEMBL8167152 0.81 CYP2D6 (0.64) CYP2D6KCNH2
SCHEMBL4739412 0.80 HDAC8 (0.54) CA1CA2MMP2CA9
SCHEMBL4742048 0.79 CA1 (0.48) CA1CA2MMP2CA9CYP2D6

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 6 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-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
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
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 CA1 247/4885CA2 274/4885MMP2 35/4885

“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.