SCHEMBL11587261

SCHEMBL11587261

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nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.35
LMNA P02545 2/20 0.33
SLC15A2 Q16348 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
ALOX15 P16050 1/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
GABRR1 P24046 2/20 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
SCHEMBL5821426 0.88 SLC22A6 (0.43) TDP1SLC22A6LMNASMN1; SMN2MAPT
Ammonia Solution, Strong SCHEMBL28654999 0.85 TDP1 (0.46) TDP1SLC22A6LMNASMN1; SMN2MAPT
SCHEMBL1962382 0.79
SCHEMBL10565786 0.79
SCHEMBL17260751 0.79
SCHEMBL28802288 0.77 ALDH1A1 (0.39) TDP1ALDH1A1
Ammonia Solution, Strong SCHEMBL5709315 0.77 TDP1 (0.39) TDP1SLC22A6LMNASMN1; SMN2MAPT
SCHEMBL1405827 0.76
SCHEMBL13227957 0.76 ALDH1A1 (0.48) TDP1ALDH1A1
SCHEMBL16576 0.76 CACNA2D1 (0.45) TDP1ALDH1A1SLC22A6

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9782390-B2 Amidine substituted β-lactam compounds, their preparation and use as antibacterial agents AICURIS GMBH & CO. KG (DE) 2017-10-10 US disclosed
US-20170100379-A1 AMIDINE SUBSTITUTED BETA-LACTAM COMPOUNDS, THEIR PREPARATION AND USE AS ANTIBACTERIAL AGENTS AICURIS GMBH & CO. KG (DE) 2017-04-13 US disclosed
US-9556165-B2 Amidine substituted β-lactam compounds, their preparation and use as antibacterial agents AICURIS GMBH & CO. KG (DE) 2017-01-31 US disclosed
EP-2806873-B1 AMIDINE SUBSTITUTED BETA-LACTAM COMPOUNDS, THEIR PREPARATION AND USE AS ANTIBACTERIAL AGENTS AICURIS GMBH & CO KG (DE) 2016-06-15 EP disclosed
US-20150045340-A1 AMIDINE SUBSTITUTED BETA-LACTAM COMPOUNDS, THEIR PREPARATION AND USE AS ANTIBACTERIAL AGENTS AICURIS GMBH & CO. KG (DE) 2015-02-12 US disclosed
CN-104203237-A Amidine-substituted beta-lactam compounds, their preparation and their use as antibacterial agents AICURIS GMBH & CO KG 2014-12-10 CN disclosed
US-4072660-A FROM A 4-OXO-CARBOXYLIC ACID ESTER OR DELTA-ENOL-LACTONE AND STRONG BASE IN GLYCOL DIALKYL ETHER SOLVENT HOECHST AKTIENGESELLSCHAFT (DT) 1978-02-07 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-20170100379-A1 AMIDINE SUBSTITUTED BETA-LACTAM COMPOUNDS, THEIR PREPARATION AND USE AS ANTIBACTERIAL AGENTS AAAS, MGAM, PAM TDP1 4542/4885ALDH1A1 4654/4885SLC22A6 2947/4885
US-20150045340-A1 AMIDINE SUBSTITUTED BETA-LACTAM COMPOUNDS, THEIR PREPARATION AND USE AS ANTIBACTERIAL AGENTS AAAS, MGAM, PAM TDP1 4542/4885ALDH1A1 4654/4885SLC22A6 2947/4885

“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.