SCHEMBL6772801

SCHEMBL6772801

CCN(CC)C(=O)c1ccccc1CBr

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.50
KEAP1 Q14145 1/20 0.50
TSHR P16473 2/20 0.48
MAPK1 P28482 1/20 0.47
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
HCRTR1 O43613 5/20 0.44
HCRTR2 O43614 5/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
ABCC1 P33527 1/20 0.43
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL6647138 0.87 TP53 (0.55) TP53KEAP1TSHRMAPK1MAPT
SCHEMBL1097237 0.84 TP53 (0.52) TP53KEAP1TSHRMAPK1MAPT
SCHEMBL610480 0.82 TP53 (0.69) TP53KEAP1TSHRMAPK1MAPT
SCHEMBL29822323 0.82 TP53 (0.69) TP53KEAP1TSHRMAPK1MAPT
SCHEMBL7287054 0.82 HCRTR1 (0.60) TP53KEAP1TSHRMAPK1MAPT
SCHEMBL8688316 0.82 TP53 (0.50) TP53KEAP1TSHRMAPK1MAPT
SCHEMBL4155173 0.82 TP53 (0.50) TP53KEAP1TSHRMAPK1MAPT
SCHEMBL29434808 0.81 MEN1 (0.50) TP53KEAP1TSHRMAPTALDH1A1
SCHEMBL14919390 0.81 KEAP1 (0.49) TP53KEAP1TSHRMAPK1MAPT
SCHEMBL7819598 0.80 ALDH1A1 (0.45) TP53KEAP1TSHRMAPK1MAPT

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-6825187-B2 CARBAPENEM DERIVATIVES SUBSTITUTED AT THE 2-POSITION WITH A SUBSTITUTED IMIDAZO(5,1-B)THIAZOLE GROUP; USE AGAINST ANTIBIOTIC RESISTANT STAPHYLOCOCCUS AUREUS AND PSEUDOMONAS AERUGINOSA, ENTEROCOCCI AND INFLUENZA VIRUS MEIJI SEIKA KAISHA, LTD. (JP) 2004-11-30 US disclosed
US-20030022881-A1 Novel carbapenem derivatives of quarternary salt type MEIJI SEIKA KAISHA, LTD. (JP) 2003-01-30 US disclosed
EP-1251134-A1 NOVEL CARBAPENEM DERIVATIVES OF QUATERNARY SALT TYPE MEIJI SEIKA KAISHA LTD. (JP) 2002-10-23 EP 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-20030022881-A1 Novel carbapenem derivatives of quarternary salt type DHPS, HDHD5, RRP15 TP53 3383/4885KEAP1 1455/4885TSHR 4206/4885

“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.