SCHEMBL17199290

SCHEMBL17199290

CC[n+]1c2ccccc2nc2c(NC(=O)CCCC(=O)Nc3cccc4nc5ccccc5nc34)cccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HDAC3 O15379 3/20 0.41
HDAC4 P56524 3/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC7 Q8WUI4 3/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC10 Q969S8 3/20 0.41
HDAC11 Q96DB2 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC9 Q9UKV0 3/20 0.41
HDAC5 Q9UQL6 3/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 4/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 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
Trifluoroacetic Acid SCHEMBL22203993 0.92 HTT (0.38) HTTMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL17199107 0.92 HDAC3 (0.48) HTTHDAC3HDAC4HDAC1HDAC7
SCHEMBL19220498 0.86 MAPK1 (0.41) HTTMAPTCYP1A2CYP2C19HDAC3
SCHEMBL29473405 0.86 POLB (0.52) HTTCYP1A2CYP2C19HDAC3HDAC4
SCHEMBL17187688 0.86 POLB (0.52) HTTCYP1A2CYP2C19HDAC3HDAC4
SCHEMBL17199212 0.85 HTT (0.55) HTTMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL17199293 0.84 CYP1A2 (0.54) MAPTCYP1A2CYP2C19ALDH1A1GAA
SCHEMBL12377714 0.82 MEN1 (0.43) HTTMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL17199320 0.81 HDAC3 (0.56) HTTMAPTCYP1A2CYP2C9CYP2C19
Trifluoroacetic Acid SCHEMBL17187687 0.79 POLB (0.45) HTTMAPTCYP1A2CYP2C19HDAC3

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
EP-3131882-B1 PHENAZINIUM MEDIATORS ROCHE DIAGNOSTICS GMBH (DE) 2020-07-15 EP disclosed
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 HTT 1007/4885MAPT 577/4885CYP1A2 722/4885

“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.