SCHEMBL4742706

SCHEMBL4742706

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 5/20 0.48
MMP13 P45452 5/20 0.48
MMP2 P08253 2/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
CYP2D6 P10635 2/20 0.44
KCNH2 Q12809 2/20 0.44
ADAM17 P78536 4/20 0.43
MMP1 P03956 4/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
MMP3 P08254 1/20 0.41

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
SCHEMBL4739458 0.87 MMP9 (0.52) MMP9MMP13MMP2CA1CA2
SCHEMBL4742717 0.86 MMP9 (0.57) MMP9MMP13MMP2CA1CA2
SCHEMBL4740783 0.84 CYP2D6 (0.47) CYP2D6KCNH2
SCHEMBL4742075 0.81 CYP2D6 (0.46) MMP2CA1CA2CA9CYP2D6
SCHEMBL4742710 0.81 CA1 (0.44) MMP2CA1CA2CA9CYP2D6
SCHEMBL4741219 0.80 CA1 (0.52) MMP2CA1CA2CA9CYP2D6
SCHEMBL4743414 0.80 CYP2D6 (0.51) CYP2D6KCNH2
SCHEMBL7679570 0.78 TAS1R3 (0.49) MMP9MMP13KMT2APOLBTAS1R3
SCHEMBL4786589 0.78 CYP2D6 (0.47) CYP2D6KCNH2TAS1R3TAS1R1
SCHEMBL7675003 0.78 TAS1R3 (0.49) MMP9MMP13KMT2APOLBTAS1R3

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 MMP9 809/4885MMP13 391/4885MMP2 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.