SCHEMBL6397203

SCHEMBL6397203

O=C(OCc1ccc([N+](=O)[O-])cc1)N1CC(S)CC1COc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
ATM Q13315 1/20 0.45
RAB9A P51151 4/20 0.42
MAPT P10636 1/20 0.41
MAOB P27338 2/20 0.41
NPC1 O15118 3/20 0.41
PLA2G4B P0C869 1/20 0.40
MAOA P21397 1/20 0.40
MGLL Q99685 1/20 0.40
FAAH O00519 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
SCHEMBL6399453 0.88 TDP1 (0.50) TDP1ATMRAB9AMAPTNPC1
SCHEMBL7862659 0.87 CYP2C9 (0.41) RAB9AMAPTMAOBNPC1PLA2G4B
SCHEMBL7859860 0.86 ATM (0.42) TDP1ATMRAB9AMAOBMAOA
SCHEMBL10370916 0.85 RAB9A (0.42) TDP1ATMRAB9AMAPTMAOB
SCHEMBL10363296 0.85 MAOB (0.42) TDP1ATMRAB9AMAPTMAOB
SCHEMBL7858313 0.85 TDP1 (0.41) TDP1ATMRAB9AMAPTMAOB
SCHEMBL10364355 0.85 TDP1 (0.43) TDP1ATMRAB9AMAPTMAOB
SCHEMBL8759638 0.85 TDP1 (0.43) TDP1ATMRAB9AMAPTMAOB
SCHEMBL6398540 0.85 TDP1 (0.43) TDP1ATMRAB9AMAPTMAOB
SCHEMBL7852631 0.84 TDP1 (0.45) TDP1ATMRAB9AMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050004092-A1 Penem derivatives and antimicrobial agent containing the same DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-01-06 US disclosed
EP-0757051-B1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME DAIICHI SUNTORY PHARMA CO LTD (JP) 2003-10-29 EP disclosed
US-6051569-A 1'S, 5R, 6R-carbapenem derivatives and antimicrobial agents comprising the same SUNTORY LIMITED (JP) 2000-04-18 US disclosed
EP-0826687-A1 Carbapenem derivatives and antimicrobial agents comprising the same SUNTORY LIMITED (JP) 1998-03-04 EP disclosed
EP-0774465-A1 Penem derivatives and antimicrobial agents containing the same SUNTORY LIMITED (JP) 1997-05-21 EP disclosed
EP-0757051-A1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME SUNTORY LIMITED (JP) 1997-02-05 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-20050004092-A1 Penem derivatives and antimicrobial agent containing the same MRPL21, MRPS2, MRPS28 TDP1 4736/4885ATM 3200/4885RAB9A 2939/4885

“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.