SCHEMBL2173948

SCHEMBL2173948

C=CC[N+](C)(CC=C)CCN1C(=O)c2ccccc2C1=O.Cc1ccc(S(=O)(=O)[O-])cc1

nearest known ligand 0.44

Known targets — ChEMBL curated mechanism

CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA

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 11)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 known ✓ P08172 3/20 0.43
▸ MMP2 P08253 2/20 0.44
▸ MMP9 P14780 2/20 0.44
▸ MMP3 P08254 1/20 0.42
▸ MMP13 P45452 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HPGD P15428 1/20 0.40
▸ NPSR1 Q6W5P4 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
SCHEMBL2192436 0.86 CHRM2 (0.53) CHRM2MEN1CYP1A2CYP2C19KMT2A
SCHEMBL12802773 0.85 LMNA (0.49) MMP2MMP9CHRM2MEN1CYP1A2
SCHEMBL2176242 0.84 MMP2 (0.46) MMP2MMP9CHRM2MMP3MMP13
SCHEMBL12802824 0.76 MMP2 (0.41) MMP2MMP9CHRM2MMP3MMP13
SCHEMBL12482645 0.76 ALDH1A1 (0.56) CHRM2MEN1CYP1A2CYP2C19KMT2A
SCHEMBL4908730 0.75 LMNA (0.44) MMP2MMP9MMP13MEN1CYP2C19
Bromide SCHEMBL10915166 0.74 LMNA (0.43) MMP2MMP9MMP13MEN1CYP2C19
SCHEMBL9504553 0.74 CHRM2 (0.66) CHRM2MEN1CYP1A2CYP2C19KMT2A
SCHEMBL12484122 0.72 CASP3 (0.50) CHRM2MEN1CYP1A2CYP2C19KMT2A
SCHEMBL10428952 0.72 CYP3A4 (0.60) KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2512409-B1 PHTHALIMIDES AS BLEACH ACTIVATORS HENKEL AG & CO KGAA (DE) 2014-12-17 — — EP claimed
US-8328879-B2 Phthalimides as bleach activators HENKEL AG & CO. KGAA (DE) 2012-12-11 — — US claimed
EP-2512409-A2 PHTALIMIDES AS BLEACH ACTIVATORS Henkel AG & Co. KGaA (DE) 2012-10-24 — — EP claimed
US-20120246841-A1 PHTHALIMIDES AS BLEACH ACTIVATORS HENKEL AG & CO. KGAA (DE) 2012-10-04 — — US claimed
WO-2011079974-A2 PHTALIMIDES AS BLEACH ACTIVATORS HENKEL AG & CO. KGAA (DE) 2011-07-07 — — WO claimed
EP-2512409-B1 PHTHALIMIDES AS BLEACH ACTIVATORS HENKEL AG & CO KGAA (DE) 2014-12-17 — — EP disclosed
US-8328879-B2 Phthalimides as bleach activators HENKEL AG & CO. KGAA (DE) 2012-12-11 — — US disclosed
EP-2512409-A2 PHTALIMIDES AS BLEACH ACTIVATORS Henkel AG & Co. KGaA (DE) 2012-10-24 — — EP disclosed
US-20120246841-A1 PHTHALIMIDES AS BLEACH ACTIVATORS HENKEL AG & CO. KGAA (DE) 2012-10-04 — — US disclosed
WO-2011079974-A2 PHTALIMIDES AS BLEACH ACTIVATORS HENKEL AG & CO. KGAA (DE) 2011-07-07 — — 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-20120246841-A1 PHTHALIMIDES AS BLEACH ACTIVATORS KRT18, PPOX, CRYAA CHRM2 4093/4885MMP2 653/4885MMP9 2460/4885

“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.

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