SCHEMBL2786296

SCHEMBL2786296

C=CC(Br)c1ccccc1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.38
CYP3A4 P08684 2/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TSHR P16473 3/20 0.31
TDP1 Q9NUW8 2/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
APOBEC3G Q9HC16 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
SCHEMBL9634797 0.84 ALDH1A1 (0.36) ALDH1A1TSHRCYP1A2CYP2C9CYP2C19
SCHEMBL2357790 0.77 CYP3A4 (0.41) ALOX15CYP3A4CASP1CASP7SMN1; SMN2
SCHEMBL1763134 0.76 CYP3A4 (0.39) ALOX15CYP3A4CASP1CASP7SMN1; SMN2
SCHEMBL2356269 0.74 GABRA1 (0.46) ALOX15CYP3A4SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL9655198 0.74 IDO1 (0.36) CYP3A4ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL6438765 0.74 ALDH1A1 (0.41) ALDH1A1TSHRCYP1A2CYP2C9CYP2C19
SCHEMBL11153401 0.74 ALOX15 (0.38) ALOX15CYP3A4CASP1CASP7SMN1; SMN2
SCHEMBL8113334 0.74 CYP3A4 (0.38) ALOX15CYP3A4CASP1CASP7SMN1; SMN2
SCHEMBL646259 0.74 CYP3A4 (0.38) ALOX15CYP3A4CASP1CASP7SMN1; SMN2
SCHEMBL8516542 0.74 ALOX15 (0.38) ALOX15CYP3A4CASP1CASP7SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1825883-B1 Agents for coloring keratin fibers PROCTER & GAMBLE (US) 2010-04-14 EP disclosed
US-7658770-B2 Agents for coloring keratin fibers THE PROCTER & GAMBLE COMPANY (US) 2010-02-09 US disclosed
US-7658771-B2 Coloring agents for keratin fibers THE PROCTER & GABLE COMPANY (US) 2010-02-09 US disclosed
US-20090165221-A1 Agents for Coloring Keratin Fibers WELLA OPERATIONS US, LLC 2009-07-02 US disclosed
US-20090158532-A1 For the simultaneous lightening and coloring of keratin fibers; oxidizing agent and azo dye such as 2-[{4-[(4,5-dimethyl-1,3-thiazol-2-yl) diazenyl ]phenyl}(ethyl)amino]-N,N,N-trimethylethanaminium bromide WELLA OPERATIONS US, LLC 2009-06-25 US disclosed
US-7513916-B2 Agents for coloring keratin fibers THE PROCTER & GAMBLE COMPANY (US) 2009-04-07 US disclosed
US-7513917-B2 Coloring agents for keratin fibers THE PROCTER & GAMBLE COMPANY (US) 2009-04-07 US disclosed
US-20070199160-A1 Agents for coloring keratin fibers THE PROCTER & GAMBLE COMPANY 2007-08-30 US disclosed
WO-2007097930-A1 AGENTS FOR COLORING KERATIN FIBERS THE PROCTER & GAMBLE COMPANY (US) 2007-08-30 WO disclosed
US-20070199161-A1 Coloring agents for keratin fibers WELLA OPERATIONS US, LLC 2007-08-30 US disclosed
EP-1825883-A1 Agents for coloring keratin fibers Wella Aktiengesellschaft (DE) 2007-08-29 EP disclosed
WO-2007093943-A1 COLORING AGENTS FOR KERATIN FIBERS THE PROCTER & GAMBLE COMPANY (US) 2007-08-23 WO disclosed
EP-1820536-A1 Coloring agents for keratin fibers Wella Aktiengesellschaft (DE) 2007-08-22 EP disclosed
EP-1820537-A1 Agents for coloring keratin fibers Wella Aktiengesellschaft (DE) 2007-08-22 EP 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 (4 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-20090165221-A1 Agents for Coloring Keratin Fibers KRT18, IK, KRTCAP2 ALOX15 4678/4885CYP3A4 3518/4885CASP1 3632/4885
US-20090158532-A1 For the simultaneous lightening and coloring of keratin fibers; oxidizing agent and azo dye such as 2-[{4-[(4,5-dimethyl-1,3-thiazol-2-yl) diazenyl ]phenyl}(ethyl)amino]-N,N,N-trimethylethanaminium bromide KRT18, TPM4, TUBB1 ALOX15 2851/4885CYP3A4 1095/4885CASP1 2540/4885
US-20070199161-A1 Coloring agents for keratin fibers KRT18, IK, KRTCAP2 ALOX15 4615/4885CYP3A4 3549/4885CASP1 3533/4885
US-20070199160-A1 Agents for coloring keratin fibers KRT18, IK, KRTCAP2 ALOX15 4678/4885CYP3A4 3518/4885CASP1 3632/4885

“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.