SCHEMBL17847865

SCHEMBL17847865

CC(=O)C[n+]1ccccc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.54
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
THRB P10828 1/20 0.48
MEN1 O00255 6/20 0.44
LMNA P02545 1/20 0.44
MMP14 P50281 1/20 0.44
CYP2C19 P33261 2/20 0.42
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 5/20 0.37
APOBEC3A P31941 2/20 0.37
APOBEC3G Q9HC16 2/20 0.37
USP2 O75604 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
HPGD P15428 1/20 0.36
CYP2D6 P10635 1/20 0.34
RECQL P46063 1/20 0.34

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
Hydrochloric Acid SCHEMBL6219680 0.98 KMT2A (0.53) KMT2ASMN1; SMN2POLBNPC1RAB9A
SCHEMBL8120684 0.84 KMT2A (0.54) KMT2ASMN1; SMN2POLBNPC1RAB9A
Hydrochloric Acid SCHEMBL2314704 0.82 KMT2A (0.53) KMT2ASMN1; SMN2POLBNPC1RAB9A
SCHEMBL19036932 0.82 KMT2A (0.38) KMT2ASMN1; SMN2POLBNPC1RAB9A
SCHEMBL13394254 0.79 KMT2A (0.70) KMT2ASMN1; SMN2POLBNPC1RAB9A
SCHEMBL19036931 0.78 CYP2D6 (0.40) KMT2ASMN1; SMN2POLBNPC1RAB9A
SCHEMBL1723901 0.78 CYP2D6 (0.40) KMT2ASMN1; SMN2POLBNPC1RAB9A
Bromide SCHEMBL1645919 0.78 KMT2A (0.73) KMT2ASMN1; SMN2POLBNPC1RAB9A
Bromide SCHEMBL1646164 0.78 KMT2A (0.52) KMT2ASMN1; SMN2POLBNPC1RAB9A
Bromide SCHEMBL8652311 0.78 KMT2A (0.60) KMT2ASMN1; SMN2POLBNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233801-B1 USE OF PARTICULAR PYRIDINIUM SALTS FOR THE TREATMENT OF KERATIN SUBSTANCES, COMPOSITIONS AND IMPLEMENTATION METHODS OREAL (FR) 2022-06-08 EP disclosed
CN-106999394-B Use, composition and implementation method of specific pyridinium salt for treating keratin materials 欧莱雅 2021-09-24 CN disclosed
US-10765615-B2 Use of particular pyridinium salts for the treatment of keratin substances, compositions and implementation methods L'OREAL (FR) 2020-09-08 US disclosed
US-20170340543-A1 USE OF PARTICULAR PYRIDINIUM SALTS FOR THE TREATMENT OF KERATIN SUBSTANCES, COMPOSITIONS AND IMPLEMENTATION METHODS L'OREAL (FR) 2017-11-30 US disclosed
US-20170340543-A1 USE OF PARTICULAR PYRIDINIUM SALTS FOR THE TREATMENT OF KERATIN SUBSTANCES, COMPOSITIONS AND IMPLEMENTATION METHODS L'OREAL (FR) 2017-11-30 US disclosed
EP-3233801-A1 USE OF PARTICULAR PYRIDINIUM SALTS FOR THE TREATMENT OF KERATIN SUBSTANCES, COMPOSITIONS AND IMPLEMENTATION METHODS L'OREAL (FR) 2017-10-25 EP disclosed
WO-2016097413-A1 USE OF PARTICULAR PYRIDINIUM SALTS FOR THE TREATMENT OF KERATIN SUBSTANCES, COMPOSITIONS AND IMPLEMENTATION METHODS L'OREAL (FR) 2016-06-23 WO disclosed
WO-2016097413-A1 USE OF PARTICULAR PYRIDINIUM SALTS FOR THE TREATMENT OF KERATIN SUBSTANCES, COMPOSITIONS AND IMPLEMENTATION METHODS L'OREAL (FR) 2016-06-23 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 (2 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-20170340543-A1 USE OF PARTICULAR PYRIDINIUM SALTS FOR THE TREATMENT OF KERATIN SUBSTANCES, COMPOSITIONS AND IMPLEMENTATION METHODS KRT18, PLPBP, PNPO KMT2A 1799/4885SMN1; SMN2 4722/4885POLB 467/4885
US-10765615-B2 Use of particular pyridinium salts for the treatment of keratin substances, compositions and implementation methods KRT18, PLPBP, PNPO KMT2A 1799/4885SMN1; SMN2 4722/4885POLB 467/4885

“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.