SCHEMBL5357980

SCHEMBL5357980

COS(=O)(=O)[O-].C[N+]1(C)CCN(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.54

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 10)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.52
MAPT P10636 8/20 0.52
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
POLB P06746 1/20 0.49
ADRB1 P08588 1/20 0.49
LMNA P02545 3/20 0.48
HSD11B1 P28845 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL5393424 0.95 MAPT (0.54) SIRT6MAPTALDH1A1MEN1KMT2A
SCHEMBL5357616 0.89 SIRT6 (0.65) SIRT6MAPTALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL5352144 0.87 SIRT6 (0.63) SIRT6MAPTALDH1A1MEN1KMT2A
SCHEMBL5352719 0.84 MAPT (0.50) SIRT6MAPTALDH1A1MEN1KMT2A
SCHEMBL6748663 0.83 MAPT (0.66) SIRT6MAPTALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL5405239 0.82 MAPT (0.64) SIRT6MAPTALDH1A1MEN1KMT2A
SCHEMBL15545367 0.81 MAPT (0.57) MAPTALDH1A1POLBLMNASMN1; SMN2
SCHEMBL9938525 0.74 ALDH1A1 (0.58) MAPTALDH1A1POLBLMNAHSD11B1
SCHEMBL15271381 0.74 SIRT6 (0.81) SIRT6MAPTALDH1A1MEN1KMT2A
SCHEMBL6151230 0.74 SIRT6 (0.81) SIRT6MAPTALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7186277-B2 Composition for dyeing keratin fibres, comprising a cationic para-phenylenediamine derivative substituted with a diazacyclohexane or diazacycloheptane ring L'OREAL SA (FR) 2007-03-06 US disclosed
US-20040237216-A1 Composition for dyeing keratin fibres, comprising a cationic para-phenylenediamine derivative substituted with a diazacyclohexane or diazacycloheptane ring L'OREAL S.A. (FR) 2004-12-02 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-20040237216-A1 Composition for dyeing keratin fibres, comprising a cationic para-phenylenediamine derivative substituted with a diazacyclohexane or diazacycloheptane ring KRT18, CDC73, DSP SIRT6 1310/4885MAPT 2272/4885ALDH1A1 1421/4885

“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.