SCHEMBL15344732

SCHEMBL15344732

COC(=O)[C@@H]1Cc2cc(c(OC)c([N+](=O)[O-])c2)-c2cc(ccc2OC)[C@H](N(C)C(=O)CN)C(=O)N[C@@H](C)C(=O)N1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TUBB4A P04350 1/20 0.30
▸ TUBB P07437 1/20 0.30
▸ TUBA3C P0DPH7 1/20 0.30
▸ TUBA1B P68363 1/20 0.30
▸ TUBA4A P68366 1/20 0.30
▸ TUBB4B P68371 1/20 0.30
▸ TUBB3 Q13509 1/20 0.30
▸ TUBB2A Q13885 1/20 0.30
▸ TUBB8 Q3ZCM7 1/20 0.30
▸ TUBA3E Q6PEY2 1/20 0.30
▸ TUBA1A Q71U36 1/20 0.30
▸ TUBA1C Q9BQE3 1/20 0.30
▸ TUBB6 Q9BUF5 1/20 0.30
▸ TUBB2B Q9BVA1 1/20 0.30
▸ TUBB1 Q9H4B7 1/20 0.30

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
SCHEMBL16455214 0.94 TUBB4A (0.30) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10248527 0.90 — —
SCHEMBL806691 0.88 GAA (0.33) —
SCHEMBL16455038 0.84 TUBB4A (0.33) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL23736080 0.82 HDAC3 (0.34) —
SCHEMBL15344705 0.81 — —
SCHEMBL26508138 0.80 PDE4B (0.31) —
SCHEMBL23605010 0.80 PDE4B (0.31) —
SCHEMBL23605437 0.79 REN (0.34) —
SCHEMBL15727144 0.78 PDE4B (0.34) —

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-20160297851-A1 BROAD SPECTRUM ANTIBIOTIC ARYLOMYCIN ANALOGS NAVY, SECRETARY OF THE UNITED STATES OF AMERICA 2016-10-13 — — US disclosed
US-9187524-B2 Broad spectrum antibiotic arylomycin analogs THE SCRIPPS RESEARCH INSTITUTE (US) 2015-11-17 — — US disclosed
US-20130281360-A1 BROAD SPECTRUM ANTIBIOTIC ARYLOMYCIN ANALOGS THE SCIPPS RESEARCH INSTITUTE (US) 2013-10-24 — — US 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 (2 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-20130281360-A1 BROAD SPECTRUM ANTIBIOTIC ARYLOMYCIN ANALOGS SPAST, NPEPPS, SPATS2L TUBB4A 4657/4885TUBB 4058/4885TUBA3C 4451/4885
US-20160297851-A1 BROAD SPECTRUM ANTIBIOTIC ARYLOMYCIN ANALOGS SPAST, NPEPPS, SPATS2L TUBB4A 4657/4885TUBB 4058/4885TUBA3C 4451/4885

“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.

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