SCHEMBL6770591

SCHEMBL6770591

O=C(NC(Br)c1ccccc1)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.51
TGM2 P21980 1/20 0.49
RAB9A P51151 2/20 0.49
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ATM Q13315 1/20 0.47
NPC1 O15118 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL11514580 0.85 ATM (0.66) CTSLTGM2RAB9AMAPTHTT
SCHEMBL11066063 0.85 ATM (0.66) CTSLTGM2RAB9AMAPTHTT
SCHEMBL6397737 0.84 TGM2 (0.48) CTSLTGM2RAB9AMAPTHTT
SCHEMBL6398101 0.83 ALDH1A1 (0.53) CTSLTGM2RAB9AMAPTHTT
SCHEMBL10967446 0.83 ATM (0.54) CTSLTGM2RAB9AMAPTHTT
SCHEMBL10967450 0.83 ATM (0.57) CTSLTGM2RAB9AMAPTHTT
SCHEMBL11515068 0.83 TGM2 (0.48) CTSLTGM2RAB9AMAPTHTT
SCHEMBL11293241 0.83 ATM (0.54) CTSLTGM2RAB9AMAPTHTT
SCHEMBL6772418 0.82 RAB9A (0.53) RAB9AMAPTHTTNPSR1ATM
SCHEMBL11281359 0.81 TGM2 (0.48) CTSLTGM2RAB9AMAPTHTT

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 CTSL 2195/4885TGM2 4704/4885RAB9A 1172/4885

“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.