SCHEMBL693143

SCHEMBL693143

Nc1ccc(-c2ccccc2C(F)(F)F)c(N)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.62
POLB P06746 2/20 0.62
GLA P06280 1/20 0.62
GAA P10253 1/20 0.62
PDK2 Q15119 2/20 0.44
TOP2A P11388 1/20 0.43
HSD11B1 P28845 4/20 0.43
BACE1 P56817 1/20 0.42
NPC1 O15118 3/20 0.41
ALDH1A1 P00352 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPK1 P28482 2/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NOTUM Q6P988 1/20 0.41
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
PTPRC P08575 2/20 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
SCHEMBL8143935 0.89 TSHR (0.80) TSHRPOLBGLAGAAPDK2
SCHEMBL29836728 0.87 TSHR (0.64) TSHRPOLBGLAGAAPDK2
SCHEMBL5851670 0.87 TSHR (0.64) TSHRPOLBGLAGAAPDK2
SCHEMBL29518230 0.87 TSHR (0.64) TSHRPOLBGLAGAAPDK2
SCHEMBL2478064 0.85 TSHR (0.57) TSHRPOLBGLAGAAPDK2
SCHEMBL3790634 0.85 TSHR (0.74) TSHRPOLBGLAGAAPDK2
Hydrochloric Acid SCHEMBL6574273 0.84 POLB (0.55) TSHRPOLBGLAGAAPDK2
SCHEMBL5685394 0.84 TSHR (0.60) TSHRPOLBGLAGAAPDK2
SCHEMBL26262313 0.82 GLA (0.44) TSHRPOLBGLAGAAPDK2
SCHEMBL397945 0.82 ALDH1A1 (0.59) TSHRPOLBGLAGAAHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1355619-B1 COLOURING AGENTS FOR KERATIN FIBRES CONTAINING (1.1'-BIPHENYL)-2.4-DIAMINE DERIVATIVES IN ADDITION TO NOVEL (1.1'-BIPHENYL)-2.4-DIAMINE-DERIVATIVES WELLA AG (DE) 2006-12-06 EP claimed
US-9944723-B2 Photopolymerizable compositions featuring novel amine accelerator for improved color stability and reduced polymerization stress thereby DENTSPLY SIRONA INC. (US) 2018-04-17 US disclosed
US-9522967-B2 Photopolymerizable compositions featuring novel amine accelerator for improved color stability and reduced polymerization stress thereby DENTSPLY INTERNATIONAL INC. (US) 2016-12-20 US disclosed
US-20160228334-A1 PHOTOPOLYMERIZABLE COMPOSITIONS FEATURING NOVEL AMINE ACCELERATOR FOR IMPROVED COLOR STABILITY AND REDUCED POLYMERIZATION STRESS THEREBY DENTSPLY SIRONA INC. 2016-08-11 US disclosed
EP-2029639-B1 PHOTOPOLYMERIZABLE COMPOSITIONS FEATURING NOVEL AMINE ACCELERATOR FOR IMPROVED COLOR STABILITY AND REDUCED POLYMERIZATION STRESS THEREBY DENTSPLY INT INC (US) 2012-02-29 EP disclosed
EP-2029639-A2 PHOTOPOLYMERIZABLE COMPOSITIONS FEATURING NOVEL AMINE ACCELERATOR FOR IMPROVED COLOR STABILITY AND REDUCED POLYMERIZATION STRESS THEREBY Dentspy International, Inc. (US) 2009-03-04 EP disclosed
US-20080306179-A1 Photopolymerizable compositions featuring novel amine accelerator for improved color stability and reduced polymerization stress thereby DENTSPLY SIRONA INC. 2008-12-11 US disclosed
WO-2007146209-A2 PHOTOPOLYMERIZABLE COMPOSITIONS DENTSPLY INTERNATIONAL INC. (US) 2007-12-21 WO disclosed
EP-1355619-B1 COLOURING AGENTS FOR KERATIN FIBRES CONTAINING (1.1'-BIPHENYL)-2.4-DIAMINE DERIVATIVES IN ADDITION TO NOVEL (1.1'-BIPHENYL)-2.4-DIAMINE-DERIVATIVES WELLA AG (DE) 2006-12-06 EP disclosed
US-7056347-B2 Coloring agents for keratin fibers containing (1,1′-biphenyl)-2,4-diamine derivatives in addition to novel (1,1′-biphenyl)-2,4-diamine-derivatives WELLA AG (DE) 2006-06-06 US disclosed
EP-1355619-A1 COLOURING AGENTS FOR KERATIN FIBRES CONTAINING (1.1'-BIPHENYL)-2.4-DIAMINE DERIVATIVES IN ADDITION TO NOVEL (1.1'-BIPHENYL)-2.4-DIAMINE-DERIVATIVES Wella Aktiengesellschaft (DE) 2003-10-29 EP disclosed
US-20030172470-A1 Colouring agents for keratin fibres containing (1.1'-biphenyl)-2.4-diamine derivatives in addition to novel (1.1'-biphenyl)-2.4-diamine-derivatives HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2003-09-18 US disclosed
WO-2002062307-A1 COLOURING AGENTS FOR KERATIN FIBRES CONTAINING (1.1'-BIPHENYL)-2.4-DIAMINE DERIVATIVES IN ADDITION TO NOVEL (1.1'-BIPHENYL)-2.4-DIAMINE-DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 2002-08-15 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-20160228334-A1 PHOTOPOLYMERIZABLE COMPOSITIONS FEATURING NOVEL AMINE ACCELERATOR FOR IMPROVED COLOR STABILITY AND REDUCED POLYMERIZATION STRESS THEREBY RAD51, PNMT, FANCD2 TSHR 1713/4885POLB 267/4885GLA 3350/4885
US-20030172470-A1 Colouring agents for keratin fibres containing (1.1'-biphenyl)-2.4-diamine derivatives in addition to novel (1.1'-biphenyl)-2.4-diamine-derivatives KRT18, DSP, DSG1 TSHR 4772/4885POLB 1103/4885GLA 1332/4885

“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.