SCHEMBL6399453

SCHEMBL6399453

O=C(OCc1ccc([N+](=O)[O-])cc1)N1CC(S)CC1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
ATM Q13315 1/20 0.48
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FOLH1 Q04609 1/20 0.40
DRD4 P21917 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 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
SCHEMBL7854717 0.89 TDP1 (0.50) TDP1ATMRAB9ANPC1PSEN1
SCHEMBL6397203 0.88 TDP1 (0.46) TDP1ATMRAB9ANPC1MAPT
SCHEMBL10364355 0.87 TDP1 (0.43) TDP1ATMRAB9ANPC1HTT
SCHEMBL8759638 0.87 TDP1 (0.43) TDP1ATMRAB9ANPC1HTT
SCHEMBL6398540 0.87 TDP1 (0.43) TDP1ATMRAB9ANPC1HTT
SCHEMBL7852631 0.86 TDP1 (0.45) TDP1ATMRAB9ANPC1MAPT
SCHEMBL7811546 0.86 RAB9A (0.43) TDP1ATMRAB9ANPC1MAPT
SCHEMBL10390103 0.85 TDP1 (0.42) TDP1ATMRAB9ANPC1HTT
SCHEMBL7860059 0.84 ATM (0.46) TDP1ATMRAB9ANPC1PSEN1
SCHEMBL10390568 0.84 TDP1 (0.41) TDP1ATMRAB9ANPC1MAPT

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.