SCHEMBL4455490

SCHEMBL4455490

COS(=O)(=O)[O-].Cc1csc(=NN=Cc2cc[n+](C)cc2)n1C

nearest known ligand 0.36

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 2/20 0.32
MEN1 O00255 4/20 0.36
MAPT P10636 4/20 0.36
KMT2A Q03164 4/20 0.36
LMNA P02545 2/20 0.36
MAPK1 P28482 2/20 0.36
THRB P10828 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
NPC1 O15118 2/20 0.33
TP53 P04637 2/20 0.33
RAB9A P51151 2/20 0.33
HTT P42858 1/20 0.33
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32
KDM4E B2RXH2 1/20 0.31
PSMD14 O00487 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
SCHEMBL4455487 1.00 MEN1 (0.36) MEN1MAPTKMT2ALMNAMAPK1
SCHEMBL4453948 0.81
SCHEMBL3934048 0.78 MAPT (0.38) MEN1MAPTKMT2ALMNAMAPK1
SCHEMBL3933193 0.77 MAPT (0.37) MEN1MAPTKMT2ALMNAMAPK1
SCHEMBL3934049 0.73 MAPT (0.38) MEN1MAPTKMT2ALMNAMAPK1
SCHEMBL3933201 0.73 MAPT (0.37) MEN1MAPTKMT2ALMNAMAPK1
SCHEMBL4453496 0.72 CYP1A2 (0.46) MEN1MAPTKMT2ALMNAMAPK1
Bromide SCHEMBL4456235 0.72 MAPT (0.42) MEN1MAPTKMT2ALMNAMAPK1
SCHEMBL3934652 0.70 MAPT (0.37) MEN1MAPTKMT2ALMNAMAPK1
SCHEMBL3934648 0.70 MAPT (0.37) MEN1MAPTKMT2ALMNAMAPK1

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-7488353-B2 Cationic heteroarylazine dyes and colorants containing these compounds WELLA AG (DE) 2009-02-10 US claimed
US-20070174975-A1 Cationic heteroarylazine dyes and colorants containing these compounds Wella GmbH (DE) 2007-08-02 US claimed
US-7488353-B2 Cationic heteroarylazine dyes and colorants containing these compounds WELLA AG (DE) 2009-02-10 US disclosed
US-20070174975-A1 Cationic heteroarylazine dyes and colorants containing these compounds Wella GmbH (DE) 2007-08-02 US 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-20070174975-A1 Cationic heteroarylazine dyes and colorants containing these compounds KRT18, IK, CRYZ ACHE 2915/4885MEN1 4339/4885MAPT 1057/4885

“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.