SCHEMBL6170147

SCHEMBL6170147

Cc1c(C2CC2CCO)ncc([N+](=O)[O-])c1Cl

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
THRB P10828 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CHRNB2 P17787 2/20 0.30
CHRNA4 P43681 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
SCHEMBL6171926 0.84
SCHEMBL6169858 0.83 ALDH1A1 (0.34) ALDH1A1LMNAMAPK1
SCHEMBL6168213 0.82 VCAM1 (0.32)
SCHEMBL27630132 0.77 MAPK1 (0.31) MAPK1
SCHEMBL6168492 0.70 CTSB (0.32)
SCHEMBL6482700 0.68 MAPT (0.32) TSHR
SCHEMBL3590495 0.67 TDP1 (0.41) ALDH1A1TSHR
SCHEMBL6169867 0.67 AKR1B1 (0.36)
SCHEMBL27630131 0.67 PRKCQ (0.32)
SCHEMBL18855622 0.65 PIN1 (0.40) ALDH1A1LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6900224-B2 Antimicrobial quinolones, their compositions and uses THE PROCTER & GAMBLE COMPANY (US) 2005-05-31 US disclosed
EP-1532137-A2 ANTIMICROBIAL AZA-BICYCLIC DERIVATES, THEIR COMPOSITIONS AND USES THE PROCTER & GAMBLE COMPANY (US) 2005-05-25 EP disclosed
US-20040038975-A1 Antimicrobial quinolones, their compositions and uses THE PROCTER & GAMBLE COMPANY 2004-02-26 US disclosed
WO-2004014893-A2 ANTIMICROBIAL AZA-BICYCLIC DERIVATES, THEIR COMPOSITIONS AND USES THE PROCTER & GAMBLE COMPANY (US) 2004-02-19 WO 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-20040038975-A1 Antimicrobial quinolones, their compositions and uses QARS1, NQO2, Q6ZSR9 ALDH1A1 2739/4885LMNA 1448/4885THRB 4210/4885

“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.