SCHEMBL4742719

SCHEMBL4742719

CCCCC(Nc1cccc(C#N)c1)C(=O)NO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
EHMT2 Q96KQ7 1/20 0.45
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSK P43235 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
LMNA P02545 1/20 0.41
HDAC4 P56524 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40

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
SCHEMBL4738597 0.82 HDAC3 (0.47) KMT2AMEN1HDAC4HDAC3HDAC1
SCHEMBL8171821 0.81 ALDH1A1 (0.43) ALDH1A1HDAC4HDAC3HDAC1HDAC7
SCHEMBL4739513 0.81 HDAC8 (0.48) SMN1; SMN2CTSKKMT2AMEN1ALDH1A1
SCHEMBL4742096 0.81 HDAC4 (0.50) SMN1; SMN2ALDH1A1MAPTHDAC4HDAC3
SCHEMBL4741450 0.81 MMP2 (0.51) CA1CA2MMP2CA9
SCHEMBL4739485 0.81 MMP2 (0.48) KMT2AMEN1HDAC4HDAC7HDAC5
SCHEMBL4739412 0.80 HDAC8 (0.54) SMN1; SMN2KMT2AMEN1ALDH1A1MAPT
SCHEMBL4738584 0.80 KDM4E (0.45) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL4739458 0.79 MMP9 (0.52) SMN1; SMN2EHMT2KMT2AMEN1ALDH1A1
SCHEMBL4741297 0.79 CYP2D6 (0.41) CA1CA2MMP2CA9

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 SMN1; SMN2 3376/4885EHMT2 708/4885CTSL 742/4885

“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.