SCHEMBL17199293

SCHEMBL17199293

CC[n+]1c2ccccc2nc2c(NC(=O)CCC(=O)OC)cccc21

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 1/20 0.54
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.52
PTPRC P08575 1/20 0.47
PTPN13 Q12923 1/20 0.47
MAPT P10636 2/20 0.41
GAA P10253 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
SCHEMBL29473405 0.88 POLB (0.52) CYP1A2CYP2C19POLBGAA
SCHEMBL19220498 0.88 MAPK1 (0.41) CYP1A2CYP2C19ALDH1A1POLBMAPT
SCHEMBL17187688 0.88 POLB (0.52) CYP1A2CYP2C19POLBGAA
SCHEMBL17199107 0.87 HDAC3 (0.48) ALDH1A1GAA
SCHEMBL17199290 0.84 HTT (0.43) CYP1A2CYP2C19ALDH1A1POLBMAPT
Trifluoroacetic Acid SCHEMBL17187687 0.83 POLB (0.45) CYP1A2CYP2C19ALDH1A1POLBMAPT
SCHEMBL17199096 0.82 CYP1A2 (0.63) CYP1A2CYP2C19ALDH1A1POLBPTPRC
SCHEMBL12377714 0.82 MEN1 (0.43) CYP1A2CYP2C19ALDH1A1POLBMAPT
SCHEMBL12415465 0.80 KDM4E (0.45) ALDH1A1POLBMAPT
Trifluoroacetic Acid SCHEMBL22203993 0.79 HTT (0.38) CYP1A2CYP2C19ALDH1A1POLBMAPT

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-9988358-B2 Phenazinium mediators ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2018-06-05 US disclosed
US-20170226068-A1 PHENAZINIUM MEDIATORS ROCHE DIAGNOSTICS GMBH (DE) 2017-08-10 US disclosed
WO-2015158645-A1 PHENAZINIUM MEDIATORS ROCHE DIAGNOSTICS GMBH (DE) 2015-10-22 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-20170226068-A1 PHENAZINIUM MEDIATORS IL5, TRPV5, TRPM5 CYP1A2 722/4885CYP2C19 2552/4885ALDH1A1 1586/4885

“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.