SCHEMBL6168213

SCHEMBL6168213

Cc1c(C2CC2CC#N)ncc([N+](=O)[O-])c1Cl

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.32
PIN1 Q13526 1/20 0.32
MAP4K1 Q92918 1/20 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
SCHEMBL6168492 0.86 CTSB (0.32)
SCHEMBL6171926 0.83
SCHEMBL6170147 0.82 ALDH1A1 (0.32)
SCHEMBL6178615 0.81
SCHEMBL6169858 0.77 ALDH1A1 (0.34) VCAM1
SCHEMBL27630132 0.73 MAPK1 (0.31)
SCHEMBL6168082 0.69 MAP4K1 (0.31) MAP4K1
SCHEMBL3590495 0.67 TDP1 (0.41) PIN1
SCHEMBL27610921 0.66 VCAM1 (0.33) VCAM1PIN1
SCHEMBL6176479 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1671690-A Antimicrobial azabicyclic derivatives, compositions and uses thereof PROCTER & GAMBLE (US) 2005-09-21 CN disclosed
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 VCAM1 4701/4885PIN1 3091/4885MAP4K1 3323/4885

“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.