SCHEMBL2786299

SCHEMBL2786299

C=CC(Br)Nc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.44
ALDH1A1 P00352 6/20 0.39
TSHR P16473 5/20 0.39
HSD17B10 Q99714 4/20 0.39
ALOX15 P16050 3/20 0.39
ALOX12 P18054 3/20 0.39
CYP3A4 P08684 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 2/20 0.39
THRB P10828 1/20 0.39
RECQL P46063 1/20 0.39
ATM Q13315 1/20 0.39
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
TGM2 P21980 1/20 0.38
CTSD P07339 1/20 0.36
MAPK1 P28482 2/20 0.35
PTGS2 P35354 2/20 0.35
PTGS1 P23219 1/20 0.35
SLC6A2 P23975 1/20 0.35

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
SCHEMBL2350755 0.73 TDP1 (0.56) TDP1ALDH1A1TSHRHSD17B10ALOX15
SCHEMBL646260 0.73 TDP1 (0.44) TDP1ALDH1A1TSHRHSD17B10ALOX15
SCHEMBL8516545 0.73 TDP1 (0.44) TDP1ALDH1A1TSHRHSD17B10ALOX15
SCHEMBL4964227 0.73 TDP1 (0.44) TDP1ALDH1A1TSHRHSD17B10ALOX15
SCHEMBL3337536 0.73 TDP1 (0.44) TDP1ALDH1A1TSHRHSD17B10ALOX15
SCHEMBL4892692 0.73 TDP1 (0.44) TDP1ALDH1A1TSHRHSD17B10ALOX15
SCHEMBL27337982 0.73 TDP1 (0.56) TDP1ALDH1A1TSHRHSD17B10ALOX15
SCHEMBL5440741 0.71 TDP1 (0.43) TDP1ALDH1A1TSHRHSD17B10ALOX15
SCHEMBL15826348 0.71 TDP1 (0.43) TDP1ALDH1A1TSHRHSD17B10ALOX15
SCHEMBL28558650 0.69 TDP1 (0.64) TDP1ALDH1A1TSHRHSD17B10ALOX15

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-7658771-B2 Coloring agents for keratin fibers THE PROCTER & GABLE COMPANY (US) 2010-02-09 US disclosed
US-7658770-B2 Agents for coloring keratin fibers THE PROCTER & GAMBLE 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 TDP1 3306/4885ALDH1A1 1069/4885TSHR 4808/4885
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 TDP1 2747/4885ALDH1A1 243/4885TSHR 3917/4885
US-20070199161-A1 Coloring agents for keratin fibers KRT18, IK, KRTCAP2 TDP1 3288/4885ALDH1A1 1070/4885TSHR 4824/4885
US-20070199160-A1 Agents for coloring keratin fibers KRT18, IK, KRTCAP2 TDP1 3306/4885ALDH1A1 1069/4885TSHR 4808/4885

“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.